N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide

C23H28N2O2 — CID 20940312

IUPACN-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1
InChIInChI=1S/C23H28N2O2/c1-16-7-5-8-19(13-16)15-25-18(3)17(2)21-14-20(9-10-22(21)25)23(26)24-11-6-12-27-4/h5,7-10,13-14H,6,11-12,15H2,1-4H3,(H,24,26)
InChIKeyAMHASLPRJNHYPA-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.38
Rot. Bonds7

About N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide

N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide (PubChem CID 20940312) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
PubChem CID20940312
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1
InChIInChI=1S/C23H28N2O2/c1-16-7-5-8-19(13-16)15-25-18(3)17(2)21-14-20(9-10-22(21)25)23(26)24-11-6-12-27-4/h5,7-10,13-14H,6,11-12,15H2,1-4H3,(H,24,26)
InChIKeyAMHASLPRJNHYPA-UHFFFAOYSA-N
XLogP4.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888436
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
CID 20888433
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
1-[[3-[hydroxy(methoxy)methyl]phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
CID 155061325
N-(3-methoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5233304
1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide
CID 154688149

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide (CID 20940312) is N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide is COCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1.
What is the InChIKey of N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The InChIKey is AMHASLPRJNHYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-7-5-8-19(13-16)15-25-18(3)17(2)21-14-20(9-10-22(21)25)23(26)24-11-6-12-27-4/h5,7-10,13-14H,6,11-12,15H2,1-4H3,(H,24,26).
What are the key properties of N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20940312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).