1-acetyl-N-pentylindole-3-carboxamide

C16H20N2O2 — CID 113207899

IUPAC1-acetyl-N-pentylindole-3-carboxamide
SMILESCCCCCNC(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-4-7-10-17-16(20)14-11-18(12(2)19)15-9-6-5-8-13(14)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,20)
InChIKeyZCBVGTRELNSPPH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.22
Rot. Bonds5

About 1-acetyl-N-pentylindole-3-carboxamide

1-acetyl-N-pentylindole-3-carboxamide (PubChem CID 113207899) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-acetyl-N-pentylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-pentylindole-3-carboxamide
PubChem CID113207899
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-acetyl-N-pentylindole-3-carboxamide
SMILESCCCCCNC(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-4-7-10-17-16(20)14-11-18(12(2)19)15-9-6-5-8-13(14)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,20)
InChIKeyZCBVGTRELNSPPH-UHFFFAOYSA-N
XLogP3.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
ethyl 4-[3-(nonylcarbamoyl)indol-1-yl]butanoate
CID 22400562
N-dodecylnaphthalene-1-carboxamide
CID 4278758
1-[(1-methylindole-3-carbonyl)amino]-3-pentylthiourea
CID 9187866
4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-pentylindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-pentylindole-3-carboxamide (CID 113207899) is 1-acetyl-N-pentylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-pentylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-pentylindole-3-carboxamide is CCCCCNC(=O)c1cn(C(C)=O)c2ccccc12.
What is the InChIKey of 1-acetyl-N-pentylindole-3-carboxamide?
The InChIKey is ZCBVGTRELNSPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-4-7-10-17-16(20)14-11-18(12(2)19)15-9-6-5-8-13(14)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,20).
What are the key properties of 1-acetyl-N-pentylindole-3-carboxamide?
1-acetyl-N-pentylindole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-pentylindole-3-carboxamide is sourced from PubChem (CID 113207899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).