(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide

C24H26N4O4 — CID 161490663

IUPAC(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-16-9-11-19(12-10-16)27(3)23(31)20(13-18-7-5-4-6-8-18)25-21(29)15-28-14-17(2)22(30)26-24(28)32/h4-12,14,20H,13,15H2,1-3H3,(H,25,29)(H,26,30,32)/t20-/m0/s1
InChIKeyWFOHLDCERWEGFC-FQEVSTJZSA-N
MW434.50 g/mol
LogP1.54
Rot. Bonds7

About (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide

(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide (PubChem CID 161490663) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
PubChem CID161490663
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-16-9-11-19(12-10-16)27(3)23(31)20(13-18-7-5-4-6-8-18)25-21(29)15-28-14-17(2)22(30)26-24(28)32/h4-12,14,20H,13,15H2,1-3H3,(H,25,29)(H,26,30,32)/t20-/m0/s1
InChIKeyWFOHLDCERWEGFC-FQEVSTJZSA-N
XLogP1.54
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
(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
2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenyl-N-[(3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 71109313
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
(2S)-2-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]-N-methyl-N-(4-methylphenyl)-3-phenylpropanamide
CID 163202113
N-[1-[[2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanamide
CID 123325772
(2S)-N-(3,4-dimethoxyphenyl)-2-[[2-(4,7-dimethylbenzimidazol-1-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 71595830
2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 166790111
(2S)-2-acetamido-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;1-tert-butyl-4-methylbenzene;molecular hydrogen
CID 145175380
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide (CID 161490663) is (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide is Cc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide?
The InChIKey is WFOHLDCERWEGFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-9-11-19(12-10-16)27(3)23(31)20(13-18-7-5-4-6-8-18)25-21(29)15-28-14-17(2)22(30)26-24(28)32/h4-12,14,20H,13,15H2,1-3H3,(H,25,29)(H,26,30,32)/t20-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide?
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide has a molecular weight of 434.50 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 161490663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).