1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide

C15H18N2O3 — CID 113207832

IUPAC1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
SMILESCOCCCNC(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-11(18)17-10-13(12-6-3-4-7-14(12)17)15(19)16-8-5-9-20-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,19)
InChIKeyYOQHTMYVFKMGDX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.07
Rot. Bonds5

About 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide

1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide (PubChem CID 113207832) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
PubChem CID113207832
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
SMILESCOCCCNC(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-11(18)17-10-13(12-6-3-4-7-14(12)17)15(19)16-8-5-9-20-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,19)
InChIKeyYOQHTMYVFKMGDX-UHFFFAOYSA-N
XLogP2.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-(3-methoxypropyl)indole-3-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

1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide (CID 113207832) is 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide is COCCCNC(=O)c1cn(C(C)=O)c2ccccc12.
What is the InChIKey of 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide?
The InChIKey is YOQHTMYVFKMGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(18)17-10-13(12-6-3-4-7-14(12)17)15(19)16-8-5-9-20-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide?
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide is sourced from PubChem (CID 113207832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).