[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate

C20H27N3O4 — CID 67668507

IUPAC[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(OC(=O)NC1(CO)CCCCC1)C(N)=O
InChIInChI=1S/C20H27N3O4/c1-19(17(21)25,11-14-12-22-16-8-4-3-7-15(14)16)27-18(26)23-20(13-24)9-5-2-6-10-20/h3-4,7-8,12,22,24H,2,5-6,9-11,13H2,1H3,(H2,21,25)(H,23,26)
InChIKeyKRRUMCLDBMPDER-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.38
Rot. Bonds6

About [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate

[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate (PubChem CID 67668507) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Name[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate
PubChem CID67668507
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(OC(=O)NC1(CO)CCCCC1)C(N)=O
InChIInChI=1S/C20H27N3O4/c1-19(17(21)25,11-14-12-22-16-8-4-3-7-15(14)16)27-18(26)23-20(13-24)9-5-2-6-10-20/h3-4,7-8,12,22,24H,2,5-6,9-11,13H2,1H3,(H2,21,25)(H,23,26)
InChIKeyKRRUMCLDBMPDER-UHFFFAOYSA-N
XLogP2.38
TPSA117.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 31862587
tert-butyl N-[1-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]cycloheptyl]carbamate
CID 55620325
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate
CID 67811308
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
CID 71851484
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
[(2R)-1-amino-2-(1H-indol-3-ylmethyl)-3,3-dimethyl-1-sulfanylidenebutan-2-yl] carbamate
CID 87622971

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate?
The IUPAC name of [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate (CID 67668507) is [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate.
What is the SMILES notation for [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate?
The canonical SMILES for [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate is CC(Cc1c[nH]c2ccccc12)(OC(=O)NC1(CO)CCCCC1)C(N)=O.
What is the InChIKey of [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate?
The InChIKey is KRRUMCLDBMPDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-19(17(21)25,11-14-12-22-16-8-4-3-7-15(14)16)27-18(26)23-20(13-24)9-5-2-6-10-20/h3-4,7-8,12,22,24H,2,5-6,9-11,13H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate?
[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate has a molecular weight of 373.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate is sourced from PubChem (CID 67668507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).