1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide

C16H21N3O2 — CID 113207837

IUPAC1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCCN(C)C)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-12(20)19-11-14(13-7-4-5-8-15(13)19)16(21)17-9-6-10-18(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,21)
InChIKeyWKLOFKSUSCJNSC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds5

About 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide

1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide (PubChem CID 113207837) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
PubChem CID113207837
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCCN(C)C)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-12(20)19-11-14(13-7-4-5-8-15(13)19)16(21)17-9-6-10-18(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,21)
InChIKeyWKLOFKSUSCJNSC-UHFFFAOYSA-N
XLogP1.98
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
CID 71702177
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide (CID 113207837) is 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide is CC(=O)n1cc(C(=O)NCCCN(C)C)c2ccccc21.
What is the InChIKey of 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide?
The InChIKey is WKLOFKSUSCJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(20)19-11-14(13-7-4-5-8-15(13)19)16(21)17-9-6-10-18(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,21).
What are the key properties of 1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide?
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.98, 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-(dimethylamino)propyl]indole-3-carboxamide is sourced from PubChem (CID 113207837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).