N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide

C16H18N4O3 — CID 131927376

IUPACN-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)Cn2cccnc2=O)c1
InChIInChI=1S/C16H18N4O3/c1-12-4-2-5-13(10-12)19-14(21)6-8-17-15(22)11-20-9-3-7-18-16(20)23/h2-5,7,9-10H,6,8,11H2,1H3,(H,17,22)(H,19,21)
InChIKeyWCFGVGWGQBQASM-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.70
Rot. Bonds6

About N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide

N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide (PubChem CID 131927376) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
PubChem CID131927376
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)Cn2cccnc2=O)c1
InChIInChI=1S/C16H18N4O3/c1-12-4-2-5-13(10-12)19-14(21)6-8-17-15(22)11-20-9-3-7-18-16(20)23/h2-5,7,9-10H,6,8,11H2,1H3,(H,17,22)(H,19,21)
InChIKeyWCFGVGWGQBQASM-UHFFFAOYSA-N
XLogP0.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 131919574
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
CID 134713732
N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115580749
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937
N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64794096
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide (CID 131927376) is N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide is Cc1cccc(NC(=O)CCNC(=O)Cn2cccnc2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide?
The InChIKey is WCFGVGWGQBQASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12-4-2-5-13(10-12)19-14(21)6-8-17-15(22)11-20-9-3-7-18-16(20)23/h2-5,7,9-10H,6,8,11H2,1H3,(H,17,22)(H,19,21).
What are the key properties of N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide?
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide has a molecular weight of 314.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 131927376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).