(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide

C29H31N3O2 — CID 71596203

IUPAC(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-19-15-16-20(2)28-27(19)24(21(3)30-28)18-26(33)31-25(17-22-11-7-5-8-12-22)29(34)32(4)23-13-9-6-10-14-23/h5-16,25,30H,17-18H2,1-4H3,(H,31,33)/t25-/m0/s1
InChIKeyRSNZXPONOVXKNO-VWLOTQADSA-N
MW453.59 g/mol
LogP5.03
Rot. Bonds7

About (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide

(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide (PubChem CID 71596203) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
PubChem CID71596203
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-19-15-16-20(2)28-27(19)24(21(3)30-28)18-26(33)31-25(17-22-11-7-5-8-12-22)29(34)32(4)23-13-9-6-10-14-23/h5-16,25,30H,17-18H2,1-4H3,(H,31,33)/t25-/m0/s1
InChIKeyRSNZXPONOVXKNO-VWLOTQADSA-N
XLogP5.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide with MolForge

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Related Compounds

(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 71594954
(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide
CID 162661530
N-(1,3-benzodioxol-5-yl)-2-[[2-(7-ethenyl-2-methyl-1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 77451421
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
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 166790111
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
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-(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
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide (CID 71596203) is (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide?
The InChIKey is RSNZXPONOVXKNO-VWLOTQADSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-19-15-16-20(2)28-27(19)24(21(3)30-28)18-26(33)31-25(17-22-11-7-5-8-12-22)29(34)32(4)23-13-9-6-10-14-23/h5-16,25,30H,17-18H2,1-4H3,(H,31,33)/t25-/m0/s1.
What are the key properties of (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide?
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide has a molecular weight of 453.59 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 71596203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).