1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone

C26H26N2O — CID 4851610

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
SMILESCCc1cccc2c(C(=O)C(NCc3ccc(C)cc3)c3ccccc3)c[nH]c12
InChIInChI=1S/C26H26N2O/c1-3-20-10-7-11-22-23(17-28-24(20)22)26(29)25(21-8-5-4-6-9-21)27-16-19-14-12-18(2)13-15-19/h4-15,17,25,27-28H,3,16H2,1-2H3
InChIKeyXHVQPYTXDPJGQI-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.75
Rot. Bonds7

About 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone

1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone (PubChem CID 4851610) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
PubChem CID4851610
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
SMILESCCc1cccc2c(C(=O)C(NCc3ccc(C)cc3)c3ccccc3)c[nH]c12
InChIInChI=1S/C26H26N2O/c1-3-20-10-7-11-22-23(17-28-24(20)22)26(29)25(21-8-5-4-6-9-21)27-16-19-14-12-18(2)13-15-19/h4-15,17,25,27-28H,3,16H2,1-2H3
InChIKeyXHVQPYTXDPJGQI-UHFFFAOYSA-N
XLogP5.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone with MolForge

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Related Compounds

2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075
(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 161062434
5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24583404
(2S)-2-benzylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599064
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 7718003
(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599104
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] (2S)-2-phenylbutanoate
CID 7811434
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
CID 7654657
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone (CID 4851610) is 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone is CCc1cccc2c(C(=O)C(NCc3ccc(C)cc3)c3ccccc3)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone?
The InChIKey is XHVQPYTXDPJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-3-20-10-7-11-22-23(17-28-24(20)22)26(29)25(21-8-5-4-6-9-21)27-16-19-14-12-18(2)13-15-19/h4-15,17,25,27-28H,3,16H2,1-2H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone?
1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone has a molecular weight of 382.51 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone is sourced from PubChem (CID 4851610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).