3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide

C18H27N3O — CID 119851186

IUPAC3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCCN2CCc3ccccc32)C1
InChIInChI=1S/C18H27N3O/c19-16-7-3-6-15(13-16)18(22)20-10-4-11-21-12-9-14-5-1-2-8-17(14)21/h1-2,5,8,15-16H,3-4,6-7,9-13,19H2,(H,20,22)
InChIKeyXQWJSHBYVSNZTR-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.07
Rot. Bonds5

About 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 119851186) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID119851186
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCCN2CCc3ccccc32)C1
InChIInChI=1S/C18H27N3O/c19-16-7-3-6-15(13-16)18(22)20-10-4-11-21-12-9-14-5-1-2-8-17(14)21/h1-2,5,8,15-16H,3-4,6-7,9-13,19H2,(H,20,22)
InChIKeyXQWJSHBYVSNZTR-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675182
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38463572
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide (CID 119851186) is 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCCN2CCc3ccccc32)C1.
What is the InChIKey of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is XQWJSHBYVSNZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c19-16-7-3-6-15(13-16)18(22)20-10-4-11-21-12-9-14-5-1-2-8-17(14)21/h1-2,5,8,15-16H,3-4,6-7,9-13,19H2,(H,20,22).
What are the key properties of 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119851186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).