3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide

C30H35N3O — CID 10671386

IUPAC3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2c(Cc3ccccc3)c3ccccc3n2CCCN(C)C)cc1
InChIInChI=1S/C30H35N3O/c1-4-11-23-16-18-25(19-17-23)31-30(34)29-27(22-24-12-6-5-7-13-24)26-14-8-9-15-28(26)33(29)21-10-20-32(2)3/h5-9,12-19H,4,10-11,20-22H2,1-3H3,(H,31,34)
InChIKeyBUBHGTVJJUBTCH-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.39
Rot. Bonds10

About 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide

3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide (PubChem CID 10671386) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide
PubChem CID10671386
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC Name3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2c(Cc3ccccc3)c3ccccc3n2CCCN(C)C)cc1
InChIInChI=1S/C30H35N3O/c1-4-11-23-16-18-25(19-17-23)31-30(34)29-27(22-24-12-6-5-7-13-24)26-14-8-9-15-28(26)33(29)21-10-20-32(2)3/h5-9,12-19H,4,10-11,20-22H2,1-3H3,(H,31,34)
InChIKeyBUBHGTVJJUBTCH-UHFFFAOYSA-N
XLogP6.39
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)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

3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitro-N-(4-propylphenyl)indole-2-carboxamide
CID 10531205
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
3-benzhydryl-1-[4-(dimethylamino)butyl]-N-propylindole-2-carboxamide
CID 54210388
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-(diethylamino)ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501276
3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide
CID 129206273
(E)-1-[1-[3-(dimethylamino)propyl]-2-methylindol-3-yl]-6-phenylhex-1-en-3-one
CID 157329260
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide?
The IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide (CID 10671386) is 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide.
What is the SMILES notation for 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide?
The canonical SMILES for 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide is CCCc1ccc(NC(=O)c2c(Cc3ccccc3)c3ccccc3n2CCCN(C)C)cc1.
What is the InChIKey of 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide?
The InChIKey is BUBHGTVJJUBTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-4-11-23-16-18-25(19-17-23)31-30(34)29-27(22-24-12-6-5-7-13-24)26-14-8-9-15-28(26)33(29)21-10-20-32(2)3/h5-9,12-19H,4,10-11,20-22H2,1-3H3,(H,31,34).
What are the key properties of 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide?
3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide is sourced from PubChem (CID 10671386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).