N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide

C19H19N3O2 — CID 131842101

IUPACN-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCC(=O)Nc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-13(23)21-15-9-7-14(8-10-15)12-22(2)19(24)17-11-20-18-6-4-3-5-16(17)18/h3-11,20H,12H2,1-2H3,(H,21,23)
InChIKeyYANKZQMEEVEXFR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.40
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide

N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 131842101) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID131842101
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCC(=O)Nc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-13(23)21-15-9-7-14(8-10-15)12-22(2)19(24)17-11-20-18-6-4-3-5-16(17)18/h3-11,20H,12H2,1-2H3,(H,21,23)
InChIKeyYANKZQMEEVEXFR-UHFFFAOYSA-N
XLogP3.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-acetamidophenyl)methyl]-N-methyl-1H-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

N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
2-(4-acetamidophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41084156
N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858407

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 131842101) is N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide is CC(=O)Nc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is YANKZQMEEVEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(23)21-15-9-7-14(8-10-15)12-22(2)19(24)17-11-20-18-6-4-3-5-16(17)18/h3-11,20H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 131842101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).