N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide

C22H25N3O2 — CID 60515084

IUPACN-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C22H25N3O2/c1-4-6-21(26)24-17-8-5-7-16(11-17)13-23-22(27)20-12-18-15(3)9-14(2)10-19(18)25-20/h5,7-12,25H,4,6,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyBVCRCLVEUNHDJZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.45
Rot. Bonds6

About N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide

N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 60515084) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID60515084
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C22H25N3O2/c1-4-6-21(26)24-17-8-5-7-16(11-17)13-23-22(27)20-12-18-15(3)9-14(2)10-19(18)25-20/h5,7-12,25H,4,6,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyBVCRCLVEUNHDJZ-UHFFFAOYSA-N
XLogP4.45
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134032937
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
N-[3-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111243808
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
N-[[3-(butanoylamino)phenyl]methyl]-2-methylsulfonylbenzamide
CID 87001535
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 34241355
N-[[3-(butanoylamino)phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 60515007
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
N-[[3-(butanoylamino)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55782609
4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55533564

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide (CID 60515084) is N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is BVCRCLVEUNHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-6-21(26)24-17-8-5-7-16(11-17)13-23-22(27)20-12-18-15(3)9-14(2)10-19(18)25-20/h5,7-12,25H,4,6,13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 60515084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).