N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide

C77H150N6O19 — CID 158508249

IUPACN-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)COCCOCCOCCCC(=O)C(C)(C)C.CC(C)(C)CC(=O)COCCOCCOCCOCCNC(=O)C(C)(C)C.CC(C)(C)NC(=O)COCC(=O)NC(C)(C)C.CC(C)(C)NC(=O)COCCNC(=O)C(C)(C)C
InChIInChI=1S/C20H39NO6.C19H36O5.C13H26N2O3.C13H25NO2.C12H24N2O3/c1-19(2,3)15-17(22)16-27-14-13-26-12-11-25-10-9-24-8-7-21-18(23)20(4,5)6;1-18(2,3)14-16(20)15-24-13-12-23-11-10-22-9-7-8-17(21)19(4,5)6;1-12(2,3)11(17)14-7-8-18-9-10(16)15-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-11(2,3)13-9(15)7-17-8-10(16)14-12(4,5)6/h7-16H2,1-6H3,(H,21,23);7-15H2,1-6H3;7-9H2,1-6H3,(H,14,17)(H,15,16);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyHKSOJDRIUGCSII-UHFFFAOYSA-N
MW1464.07 g/mol
LogP10.26
Rot. Bonds41

About N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide

N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide (PubChem CID 158508249) has the molecular formula C77H150N6O19 and a molecular weight of 1464.07 g/mol. Its IUPAC name is N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
PubChem CID158508249
Molecular FormulaC77H150N6O19
Molecular Weight1464.07 g/mol
Exact Mass1463.10
IUPAC NameN-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)COCCOCCOCCCC(=O)C(C)(C)C.CC(C)(C)CC(=O)COCCOCCOCCOCCNC(=O)C(C)(C)C.CC(C)(C)NC(=O)COCC(=O)NC(C)(C)C.CC(C)(C)NC(=O)COCCNC(=O)C(C)(C)C
InChIInChI=1S/C20H39NO6.C19H36O5.C13H26N2O3.C13H25NO2.C12H24N2O3/c1-19(2,3)15-17(22)16-27-14-13-26-12-11-25-10-9-24-8-7-21-18(23)20(4,5)6;1-18(2,3)14-16(20)15-24-13-12-23-11-10-22-9-7-8-17(21)19(4,5)6;1-12(2,3)11(17)14-7-8-18-9-10(16)15-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-11(2,3)13-9(15)7-17-8-10(16)14-12(4,5)6/h7-16H2,1-6H3,(H,21,23);7-15H2,1-6H3;7-9H2,1-6H3,(H,14,17)(H,15,16);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyHKSOJDRIUGCSII-UHFFFAOYSA-N
XLogP10.26
TPSA325.95 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms102
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001464.07
LogP ≤ 510.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide (CID 158508249) is N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide is CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)COCCOCCOCCCC(=O)C(C)(C)C.CC(C)(C)CC(=O)COCCOCCOCCOCCNC(=O)C(C)(C)C.CC(C)(C)NC(=O)COCC(=O)NC(C)(C)C.CC(C)(C)NC(=O)COCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
The InChIKey is HKSOJDRIUGCSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO6.C19H36O5.C13H26N2O3.C13H25NO2.C12H24N2O3/c1-19(2,3)15-17(22)16-27-14-13-26-12-11-25-10-9-24-8-7-21-18(23)20(4,5)6;1-18(2,3)14-16(20)15-24-13-12-23-11-10-22-9-7-8-17(21)19(4,5)6;1-12(2,3)11(17)14-7-8-18-9-10(16)15-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-11(2,3)13-9(15)7-17-8-10(16)14-12(4,5)6/h7-16H2,1-6H3,(H,21,23);7-15H2,1-6H3;7-9H2,1-6H3,(H,14,17)(H,15,16);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide has a molecular weight of 1464.07 g/mol, XLogP of 10.26, 41 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158508249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).