N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide

C22H31N3O2 — CID 132988665

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C22H31N3O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3,(H2,23,26)(H,24,27)
InChIKeyLPXKQKOUEIQHLR-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.85
Rot. Bonds5

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide (PubChem CID 132988665) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
PubChem CID132988665
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C22H31N3O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3,(H2,23,26)(H,24,27)
InChIKeyLPXKQKOUEIQHLR-UHFFFAOYSA-N
XLogP3.85
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 167312296
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
N-[(2S)-1-[[1-[3-[2-[2-(3-cyanopropoxy)ethoxy]ethoxy]propylamino]-3-oxopropan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indole-3-carboxamide
CID 166959367
6-bromo-1-[1-(cyclohexylmethyl)indol-3-yl]hexan-1-one
CID 54439030
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 121491668
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[[(2R)-5-oxooxolan-2-yl]methyl]indazole-3-carboxamide
CID 143855367
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(cyclohexylmethyl)-6-fluoro-2-oxobenzimidazole-1-carboxamide
CID 24955548

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide (CID 132988665) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide is CC(C)(C)C(NC(=O)c1cn(CC2CCCCC2)c2ccccc12)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide?
The InChIKey is LPXKQKOUEIQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3,(H2,23,26)(H,24,27).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide is sourced from PubChem (CID 132988665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).