2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide

C29H32N2O2 — CID 20888433

IUPAC2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(OC(C)C)cc4)ccc32)c1
InChIInChI=1S/C29H32N2O2/c1-19(2)33-26-12-9-23(10-13-26)17-30-29(32)25-11-14-28-27(16-25)21(4)22(5)31(28)18-24-8-6-7-20(3)15-24/h6-16,19H,17-18H2,1-5H3,(H,30,32)
InChIKeyQHTBFMIWSXQHPB-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.33
Rot. Bonds7

About 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide

2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide (PubChem CID 20888433) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
PubChem CID20888433
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(OC(C)C)cc4)ccc32)c1
InChIInChI=1S/C29H32N2O2/c1-19(2)33-26-12-9-23(10-13-26)17-30-29(32)25-11-14-28-27(16-25)21(4)22(5)31(28)18-24-8-6-7-20(3)15-24/h6-16,19H,17-18H2,1-5H3,(H,30,32)
InChIKeyQHTBFMIWSXQHPB-UHFFFAOYSA-N
XLogP6.33
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
2-[3-[[5-[(4-tert-butylphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenoxy]propanoic acid
CID 144948569
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
2,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71109704
N-[(4-ethylsulfonylphenyl)methyl]-9-[(3-propan-2-yloxyphenyl)methyl]carbazole-3-carboxamide
CID 137399822
2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888436
2-[4-[[2,3-dimethyl-5-[(3-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-phenylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(3-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158881479
2-[2-chloro-5-[[2,3-dimethyl-5-[(3-propan-2-ylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenoxy]-2-cyclopropylacetic acid
CID 144948500

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide (CID 20888433) is 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide is Cc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(OC(C)C)cc4)ccc32)c1.
What is the InChIKey of 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide?
The InChIKey is QHTBFMIWSXQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-19(2)33-26-12-9-23(10-13-26)17-30-29(32)25-11-14-28-27(16-25)21(4)22(5)31(28)18-24-8-6-7-20(3)15-24/h6-16,19H,17-18H2,1-5H3,(H,30,32).
What are the key properties of 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide?
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20888433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).