1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide

C28H30N2O — CID 20940145

IUPAC1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(C)CCc3ccccc3)cc12
InChIInChI=1S/C28H30N2O/c1-20(14-15-23-10-6-4-7-11-23)29-28(31)25-16-17-27-26(18-25)21(2)22(3)30(27)19-24-12-8-5-9-13-24/h4-13,16-18,20H,14-15,19H2,1-3H3,(H,29,31)
InChIKeyAPXXAAKQINKLHM-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.06
Rot. Bonds7

About 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide

1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide (PubChem CID 20940145) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
PubChem CID20940145
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(C)CCc3ccccc3)cc12
InChIInChI=1S/C28H30N2O/c1-20(14-15-23-10-6-4-7-11-23)29-28(31)25-16-17-27-26(18-25)21(2)22(3)30(27)19-24-12-8-5-9-13-24/h4-13,16-18,20H,14-15,19H2,1-3H3,(H,29,31)
InChIKeyAPXXAAKQINKLHM-UHFFFAOYSA-N
XLogP6.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
2-[4-[[2,3-dimethyl-5-(4-phenylbutan-2-ylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 71074997
1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide
CID 29096679
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
2,3-dimethyl-N-[(1S)-1-naphthalen-1-ylethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099280
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099300
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099318
N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099343
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71099267
carbon dioxide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 160630529

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
The IUPAC name of 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide (CID 20940145) is 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide.
What is the SMILES notation for 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
The canonical SMILES for 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide is Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(C)CCc3ccccc3)cc12.
What is the InChIKey of 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
The InChIKey is APXXAAKQINKLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O/c1-20(14-15-23-10-6-4-7-11-23)29-28(31)25-16-17-27-26(18-25)21(2)22(3)30(27)19-24-12-8-5-9-13-24/h4-13,16-18,20H,14-15,19H2,1-3H3,(H,29,31).
What are the key properties of 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide is sourced from PubChem (CID 20940145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).