N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide

C40H52N6O6 — CID 161137068

IUPACN-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide
SMILESCC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C.C[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C20H27N3O3.C20H25N3O3/c2*1-13(24)12-21-19(25)15-8-4-5-9-16(15)22-20(26)18-11-14-7-3-6-10-17(14)23(18)2/h3,6-7,10-11,13,15-16,24H,4-5,8-9,12H2,1-2H3,(H,21,25)(H,22,26);3,6-7,10-11,15-16H,4-5,8-9,12H2,1-2H3,(H,21,25)(H,22,26)/t13-,15-,16+;15-,16+/m11/s1
InChIKeyUMYAVDGHGMJEHN-NEOVLEOMSA-N
MW712.89 g/mol
LogP4.14
Rot. Bonds10

About N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide

N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide (PubChem CID 161137068) has the molecular formula C40H52N6O6 and a molecular weight of 712.89 g/mol. Its IUPAC name is N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide
PubChem CID161137068
Molecular FormulaC40H52N6O6
Molecular Weight712.89 g/mol
Exact Mass712.39
IUPAC NameN-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide
SMILESCC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C.C[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C20H27N3O3.C20H25N3O3/c2*1-13(24)12-21-19(25)15-8-4-5-9-16(15)22-20(26)18-11-14-7-3-6-10-17(14)23(18)2/h3,6-7,10-11,13,15-16,24H,4-5,8-9,12H2,1-2H3,(H,21,25)(H,22,26);3,6-7,10-11,15-16H,4-5,8-9,12H2,1-2H3,(H,21,25)(H,22,26)/t13-,15-,16+;15-,16+/m11/s1
InChIKeyUMYAVDGHGMJEHN-NEOVLEOMSA-N
XLogP4.14
TPSA163.56 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.89
LogP ≤ 54.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394
2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 23510298
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808286
N-[(1S,2R)-2-[2-(benzenesulfonamido)ethylcarbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808296
N-[(1S,2R)-2-[(1-hydroxyimino-4-methylpentan-2-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 87733242
N-[(1S,2R)-2-[(3-hydrazinylidene-6-methyl-2-oxoheptan-4-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 140525731
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-(2-methylanilino)pentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808353
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
1-methyl-N-[(1S,2R)-2-[[4-methyl-1-(4-phenylbutylamino)pentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808390
N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808291
N-[(1S,2R)-2-[[1-cyano-3-[(S)-methylsulfinyl]propyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 91485427
2-[(E)-[4-methyl-2-[[(1R,2S)-2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]pentylidene]amino]oxyacetic acid
CID 58808378

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide (CID 161137068) is N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide is CC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C.C[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide?
The InChIKey is UMYAVDGHGMJEHN-NEOVLEOMSA-N. The full InChI is InChI=1S/C20H27N3O3.C20H25N3O3/c2*1-13(24)12-21-19(25)15-8-4-5-9-16(15)22-20(26)18-11-14-7-3-6-10-17(14)23(18)2/h3,6-7,10-11,13,15-16,24H,4-5,8-9,12H2,1-2H3,(H,21,25)(H,22,26);3,6-7,10-11,15-16H,4-5,8-9,12H2,1-2H3,(H,21,25)(H,22,26)/t13-,15-,16+;15-,16+/m11/s1.
What are the key properties of N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide?
N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide has a molecular weight of 712.89 g/mol, XLogP of 4.14, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide is sourced from PubChem (CID 161137068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).