2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide

C16H21N3O2 — CID 43255031

IUPAC2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
SMILESNC1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C16H21N3O2/c17-15-12-8-4-5-9-13(12)19(16(15)21)10-14(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10,17H2,(H,18,20)
InChIKeyNBIKVLZUBYEESU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.48
Rot. Bonds3

About 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide

2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide (PubChem CID 43255031) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
PubChem CID43255031
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
SMILESNC1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C16H21N3O2/c17-15-12-8-4-5-9-13(12)19(16(15)21)10-14(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10,17H2,(H,18,20)
InChIKeyNBIKVLZUBYEESU-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
N-cycloheptyl-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 44777353
1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563640
N-cyclohexyl-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878098
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
CID 41024763
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148325
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide (CID 43255031) is 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide is NC1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide?
The InChIKey is NBIKVLZUBYEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-15-12-8-4-5-9-13(12)19(16(15)21)10-14(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10,17H2,(H,18,20).
What are the key properties of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide?
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 43255031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).