(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide

C31H35N3O2 — CID 71594954

IUPAC(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
SMILESCCn1c(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c2c(C)ccc(C)c21
InChIInChI=1S/C31H35N3O2/c1-6-34-23(4)26(29-21(2)17-18-22(3)30(29)34)20-28(35)32-27(19-24-13-9-7-10-14-24)31(36)33(5)25-15-11-8-12-16-25/h7-18,27H,6,19-20H2,1-5H3,(H,32,35)/t27-/m0/s1
InChIKeyLGPACYWZANXAJL-MHZLTWQESA-N
MW481.64 g/mol
LogP5.52
Rot. Bonds8

About (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide

(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide (PubChem CID 71594954) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
PubChem CID71594954
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC Name(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
SMILESCCn1c(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c2c(C)ccc(C)c21
InChIInChI=1S/C31H35N3O2/c1-6-34-23(4)26(29-21(2)17-18-22(3)30(29)34)20-28(35)32-27(19-24-13-9-7-10-14-24)31(36)33(5)25-15-11-8-12-16-25/h7-18,27H,6,19-20H2,1-5H3,(H,32,35)/t27-/m0/s1
InChIKeyLGPACYWZANXAJL-MHZLTWQESA-N
XLogP5.52
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 77451431
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
CID 71594860
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
2-[[2-(2,4-dimethyl-3-pentylindol-1-yl)acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
CID 123879724
(2S)-N-(3,4-dimethoxyphenyl)-2-[[2-(4,7-dimethylbenzimidazol-1-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 71595830
(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
CID 159703025
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
The IUPAC name of (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide (CID 71594954) is (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide is CCn1c(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c2c(C)ccc(C)c21.
What is the InChIKey of (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
The InChIKey is LGPACYWZANXAJL-MHZLTWQESA-N. The full InChI is InChI=1S/C31H35N3O2/c1-6-34-23(4)26(29-21(2)17-18-22(3)30(29)34)20-28(35)32-27(19-24-13-9-7-10-14-24)31(36)33(5)25-15-11-8-12-16-25/h7-18,27H,6,19-20H2,1-5H3,(H,32,35)/t27-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide has a molecular weight of 481.64 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide is sourced from PubChem (CID 71594954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).