1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone

C17H26N2O — CID 82262438

IUPAC1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCCNC(C)Cc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C17H26N2O/c1-4-5-9-18-13(2)11-15-6-7-17-16(12-15)8-10-19(17)14(3)20/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyPFNUZOZKBXMQJO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds6

About 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 82262438) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID82262438
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCCNC(C)Cc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C17H26N2O/c1-4-5-9-18-13(2)11-15-6-7-17-16(12-15)8-10-19(17)14(3)20/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyPFNUZOZKBXMQJO-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone 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

1-[6-[2-(propylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262345
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
1-[5-[2-(cyclopentylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262657
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
CID 82350735
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352066
1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
1-[6-(2-bromo-3-methylbutyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82255035
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone (CID 82262438) is 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone is CCCCNC(C)Cc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PFNUZOZKBXMQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-9-18-13(2)11-15-6-7-17-16(12-15)8-10-19(17)14(3)20/h6-7,12-13,18H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 82262438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).