methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate

C99H203N11O22 — CID 158433228

IUPACmethane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)NC(=O)OC(C)C.CC(C)OC(=O)NC(C)(C)C.CC(C)OC(=O)NC1CCCC1.CC(C)OC(=O)NC1CCCCC1.CC(C)OC(=O)Nc1ccccc1.CC(C)OC(=O)c1ccc[nH]1.CC(C)OC(=O)c1cccn1C.CC(C)OC(N)=O.CCCNC(=O)OC(C)C.CCNC(=O)OC(C)C.Cc1ccc(C(=O)OC(C)C)[nH]1
InChIInChI=1S/C10H19NO2.C10H13NO2.2C9H13NO2.C9H17NO2.C8H11NO2.C8H17NO2.2C7H15NO2.C6H13NO2.C4H9NO2.12CH4/c2*1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-7(2)12-9(11)8-5-4-6-10(8)3;1-6(2)12-9(11)8-5-4-7(3)10-8;1-7(2)12-9(11)10-8-5-3-4-6-8;1-6(2)11-8(10)7-4-3-5-9-7;1-6(2)11-7(10)9-8(3,4)5;1-5(2)8-7(9)10-6(3)4;1-4-5-8-7(9)10-6(2)3;1-4-7-6(8)9-5(2)3;1-3(2)7-4(5)6;;;;;;;;;;;;/h8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);4-7H,1-3H3;4-6,10H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);3-6,9H,1-2H3;6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6);12*1H4
InChIKeyHBXJQWXZHFWOOK-UHFFFAOYSA-N
MW1899.77 g/mol
LogP26.46
Rot. Bonds21

About methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate

methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate (PubChem CID 158433228) has the molecular formula C99H203N11O22 and a molecular weight of 1899.77 g/mol. Its IUPAC name is methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate
PubChem CID158433228
Molecular FormulaC99H203N11O22
Molecular Weight1899.77 g/mol
Exact Mass1898.51
IUPAC Namemethane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)NC(=O)OC(C)C.CC(C)OC(=O)NC(C)(C)C.CC(C)OC(=O)NC1CCCC1.CC(C)OC(=O)NC1CCCCC1.CC(C)OC(=O)Nc1ccccc1.CC(C)OC(=O)c1ccc[nH]1.CC(C)OC(=O)c1cccn1C.CC(C)OC(N)=O.CCCNC(=O)OC(C)C.CCNC(=O)OC(C)C.Cc1ccc(C(=O)OC(C)C)[nH]1
InChIInChI=1S/C10H19NO2.C10H13NO2.2C9H13NO2.C9H17NO2.C8H11NO2.C8H17NO2.2C7H15NO2.C6H13NO2.C4H9NO2.12CH4/c2*1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-7(2)12-9(11)8-5-4-6-10(8)3;1-6(2)12-9(11)8-5-4-7(3)10-8;1-7(2)12-9(11)10-8-5-3-4-6-8;1-6(2)11-8(10)7-4-3-5-9-7;1-6(2)11-7(10)9-8(3,4)5;1-5(2)8-7(9)10-6(3)4;1-4-5-8-7(9)10-6(2)3;1-4-7-6(8)9-5(2)3;1-3(2)7-4(5)6;;;;;;;;;;;;/h8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);4-7H,1-3H3;4-6,10H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);3-6,9H,1-2H3;6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6);12*1H4
InChIKeyHBXJQWXZHFWOOK-UHFFFAOYSA-N
XLogP26.46
TPSA436.04 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.77
LogP ≤ 526.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?
The IUPAC name of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate (CID 158433228) is methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?
The canonical SMILES for methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)NC(=O)OC(C)C.CC(C)OC(=O)NC(C)(C)C.CC(C)OC(=O)NC1CCCC1.CC(C)OC(=O)NC1CCCCC1.CC(C)OC(=O)Nc1ccccc1.CC(C)OC(=O)c1ccc[nH]1.CC(C)OC(=O)c1cccn1C.CC(C)OC(N)=O.CCCNC(=O)OC(C)C.CCNC(=O)OC(C)C.Cc1ccc(C(=O)OC(C)C)[nH]1.
What is the InChIKey of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?
The InChIKey is HBXJQWXZHFWOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C10H13NO2.2C9H13NO2.C9H17NO2.C8H11NO2.C8H17NO2.2C7H15NO2.C6H13NO2.C4H9NO2.12CH4/c2*1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-7(2)12-9(11)8-5-4-6-10(8)3;1-6(2)12-9(11)8-5-4-7(3)10-8;1-7(2)12-9(11)10-8-5-3-4-6-8;1-6(2)11-8(10)7-4-3-5-9-7;1-6(2)11-7(10)9-8(3,4)5;1-5(2)8-7(9)10-6(3)4;1-4-5-8-7(9)10-6(2)3;1-4-7-6(8)9-5(2)3;1-3(2)7-4(5)6;;;;;;;;;;;;/h8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);4-7H,1-3H3;4-6,10H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);3-6,9H,1-2H3;6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6);12*1H4.
What are the key properties of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?
methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate has a molecular weight of 1899.77 g/mol, XLogP of 26.46, 21 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl 5-methyl-1H-pyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 158433228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).