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

C23H28N2O — CID 20940085

IUPAC1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NC(C)CCc3ccccc3)ccc21
InChIInChI=1S/C23H28N2O/c1-5-25-18(4)17(3)21-15-20(13-14-22(21)25)23(26)24-16(2)11-12-19-9-7-6-8-10-19/h6-10,13-16H,5,11-12H2,1-4H3,(H,24,26)
InChIKeyRHHRWTKDPFGUJQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.03
Rot. Bonds6

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

1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide (PubChem CID 20940085) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
PubChem CID20940085
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NC(C)CCc3ccccc3)ccc21
InChIInChI=1S/C23H28N2O/c1-5-25-18(4)17(3)21-15-20(13-14-22(21)25)23(26)24-16(2)11-12-19-9-7-6-8-10-19/h6-10,13-16H,5,11-12H2,1-4H3,(H,24,26)
InChIKeyRHHRWTKDPFGUJQ-UHFFFAOYSA-N
XLogP5.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.03
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-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940145
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
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
The IUPAC name of 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide (CID 20940085) is 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NC(C)CCc3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
The InChIKey is RHHRWTKDPFGUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-5-25-18(4)17(3)21-15-20(13-14-22(21)25)23(26)24-16(2)11-12-19-9-7-6-8-10-19/h6-10,13-16H,5,11-12H2,1-4H3,(H,24,26).
What are the key properties of 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide?
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide is sourced from PubChem (CID 20940085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).