N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea

C104H212N20O40 — CID 157171510

IUPACN-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea
SMILESC.C.C.C.CCC(C)(C)C(=O)OCNC(=O)NC.CCC(C)(C)C(=O)ONC(N)=O.CCC(C)(C)OC(=O)CC(CO)C(=O)NC(C)=O.CCC(C)(C)OC(=O)NC(N)=O.CCC(C)(C)OCC(CO)C(=O)NC(C)=O.CCC(C)(C)ONC(=O)NC.CCC(C)C(=O)OCNC(=O)NC.CCC(C)C(=O)ONC(N)=O.CCC(C)OC(=O)CC(CO)C(=O)NC(C)=O.CCC(C)OC(=O)NC(N)=O.CCC(C)OCC(CO)C(=O)NC(C)=O.CCC(C)ONC(=O)NC
InChIInChI=1S/C12H21NO5.C11H19NO5.C11H21NO4.C10H19NO4.C9H18N2O3.C8H16N2O3.2C7H14N2O3.C7H16N2O2.2C6H12N2O3.C6H14N2O2.4CH4/c1-5-12(3,4)18-10(16)6-9(7-14)11(17)13-8(2)15;1-4-7(2)17-10(15)5-9(6-13)11(16)12-8(3)14;1-5-11(3,4)16-7-9(6-13)10(15)12-8(2)14;1-4-7(2)15-6-9(5-12)10(14)11-8(3)13;1-5-9(2,3)7(12)14-6-11-8(13)10-4;1-4-6(2)7(11)13-5-10-8(12)9-3;1-4-7(2,3)12-6(11)9-5(8)10;1-4-7(2,3)5(10)12-9-6(8)11;1-5-7(2,3)11-9-6(10)8-4;1-3-4(2)11-6(10)8-5(7)9;1-3-4(2)5(9)11-8-6(7)10;1-4-5(2)10-8-6(9)7-3;;;;/h9,14H,5-7H2,1-4H3,(H,13,15,17);7,9,13H,4-6H2,1-3H3,(H,12,14,16);9,13H,5-7H2,1-4H3,(H,12,14,15);7,9,12H,4-6H2,1-3H3,(H,11,13,14);5-6H2,1-4H3,(H2,10,11,13);6H,4-5H2,1-3H3,(H2,9,10,12);4H2,1-3H3,(H3,8,9,10,11);4H2,1-3H3,(H3,8,9,11);5H2,1-4H3,(H2,8,9,10);4H,3H2,1-2H3,(H3,7,8,9,10);4H,3H2,1-2H3,(H3,7,8,10);5H,4H2,1-3H3,(H2,7,8,9);4*1H4
InChIKeyANNFFZOWBQOHTC-UHFFFAOYSA-N
MW2382.94 g/mol
LogP8.72
Rot. Bonds46

About N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea

N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea (PubChem CID 157171510) has the molecular formula C104H212N20O40 and a molecular weight of 2382.94 g/mol. Its IUPAC name is N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea.

Molecular Properties

Compound NameN-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea
PubChem CID157171510
Molecular FormulaC104H212N20O40
Molecular Weight2382.94 g/mol
Exact Mass2381.52
IUPAC NameN-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea
SMILESC.C.C.C.CCC(C)(C)C(=O)OCNC(=O)NC.CCC(C)(C)C(=O)ONC(N)=O.CCC(C)(C)OC(=O)CC(CO)C(=O)NC(C)=O.CCC(C)(C)OC(=O)NC(N)=O.CCC(C)(C)OCC(CO)C(=O)NC(C)=O.CCC(C)(C)ONC(=O)NC.CCC(C)C(=O)OCNC(=O)NC.CCC(C)C(=O)ONC(N)=O.CCC(C)OC(=O)CC(CO)C(=O)NC(C)=O.CCC(C)OC(=O)NC(N)=O.CCC(C)OCC(CO)C(=O)NC(C)=O.CCC(C)ONC(=O)NC
InChIInChI=1S/C12H21NO5.C11H19NO5.C11H21NO4.C10H19NO4.C9H18N2O3.C8H16N2O3.2C7H14N2O3.C7H16N2O2.2C6H12N2O3.C6H14N2O2.4CH4/c1-5-12(3,4)18-10(16)6-9(7-14)11(17)13-8(2)15;1-4-7(2)17-10(15)5-9(6-13)11(16)12-8(3)14;1-5-11(3,4)16-7-9(6-13)10(15)12-8(2)14;1-4-7(2)15-6-9(5-12)10(14)11-8(3)13;1-5-9(2,3)7(12)14-6-11-8(13)10-4;1-4-6(2)7(11)13-5-10-8(12)9-3;1-4-7(2,3)12-6(11)9-5(8)10;1-4-7(2,3)5(10)12-9-6(8)11;1-5-7(2,3)11-9-6(10)8-4;1-3-4(2)11-6(10)8-5(7)9;1-3-4(2)5(9)11-8-6(7)10;1-4-5(2)10-8-6(9)7-3;;;;/h9,14H,5-7H2,1-4H3,(H,13,15,17);7,9,13H,4-6H2,1-3H3,(H,12,14,16);9,13H,5-7H2,1-4H3,(H,12,14,15);7,9,12H,4-6H2,1-3H3,(H,11,13,14);5-6H2,1-4H3,(H2,10,11,13);6H,4-5H2,1-3H3,(H2,9,10,12);4H2,1-3H3,(H3,8,9,10,11);4H2,1-3H3,(H3,8,9,11);5H2,1-4H3,(H2,8,9,10);4H,3H2,1-2H3,(H3,7,8,9,10);4H,3H2,1-2H3,(H3,7,8,10);5H,4H2,1-3H3,(H2,7,8,9);4*1H4
InChIKeyANNFFZOWBQOHTC-UHFFFAOYSA-N
XLogP8.72
TPSA897.92 Ų
H-Bond Donors24
H-Bond Acceptors40
Rotatable Bonds46
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.94
LogP ≤ 58.72
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea?
The IUPAC name of N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea (CID 157171510) is N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea.
What is the SMILES notation for N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea?
The canonical SMILES for N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea is C.C.C.C.CCC(C)(C)C(=O)OCNC(=O)NC.CCC(C)(C)C(=O)ONC(N)=O.CCC(C)(C)OC(=O)CC(CO)C(=O)NC(C)=O.CCC(C)(C)OC(=O)NC(N)=O.CCC(C)(C)OCC(CO)C(=O)NC(C)=O.CCC(C)(C)ONC(=O)NC.CCC(C)C(=O)OCNC(=O)NC.CCC(C)C(=O)ONC(N)=O.CCC(C)OC(=O)CC(CO)C(=O)NC(C)=O.CCC(C)OC(=O)NC(N)=O.CCC(C)OCC(CO)C(=O)NC(C)=O.CCC(C)ONC(=O)NC.
What is the InChIKey of N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea?
The InChIKey is ANNFFZOWBQOHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5.C11H19NO5.C11H21NO4.C10H19NO4.C9H18N2O3.C8H16N2O3.2C7H14N2O3.C7H16N2O2.2C6H12N2O3.C6H14N2O2.4CH4/c1-5-12(3,4)18-10(16)6-9(7-14)11(17)13-8(2)15;1-4-7(2)17-10(15)5-9(6-13)11(16)12-8(3)14;1-5-11(3,4)16-7-9(6-13)10(15)12-8(2)14;1-4-7(2)15-6-9(5-12)10(14)11-8(3)13;1-5-9(2,3)7(12)14-6-11-8(13)10-4;1-4-6(2)7(11)13-5-10-8(12)9-3;1-4-7(2,3)12-6(11)9-5(8)10;1-4-7(2,3)5(10)12-9-6(8)11;1-5-7(2,3)11-9-6(10)8-4;1-3-4(2)11-6(10)8-5(7)9;1-3-4(2)5(9)11-8-6(7)10;1-4-5(2)10-8-6(9)7-3;;;;/h9,14H,5-7H2,1-4H3,(H,13,15,17);7,9,13H,4-6H2,1-3H3,(H,12,14,16);9,13H,5-7H2,1-4H3,(H,12,14,15);7,9,12H,4-6H2,1-3H3,(H,11,13,14);5-6H2,1-4H3,(H2,10,11,13);6H,4-5H2,1-3H3,(H2,9,10,12);4H2,1-3H3,(H3,8,9,10,11);4H2,1-3H3,(H3,8,9,11);5H2,1-4H3,(H2,8,9,10);4H,3H2,1-2H3,(H3,7,8,9,10);4H,3H2,1-2H3,(H3,7,8,10);5H,4H2,1-3H3,(H2,7,8,9);4*1H4.
What are the key properties of N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea?
N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea has a molecular weight of 2382.94 g/mol, XLogP of 8.72, 46 rotatable bonds, 24 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea is sourced from PubChem (CID 157171510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).