N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

C20H17N3O3 — CID 2802825

IUPACN-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESCc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1
InChIInChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)
InChIKeyCBNMUUXYTARFEC-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (PubChem CID 2802825) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
PubChem CID2802825
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESCc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1
InChIInChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)
InChIKeyCBNMUUXYTARFEC-UHFFFAOYSA-N
XLogP2.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]ethyl]acetamide
CID 8369085
6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-pyrimidine-2,4-dione
CID 483488
1-Benzyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 5280007
1-Benzyl-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidine-dione
CID 5280008
1-(Cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione
CID 9885616
1-(Cyclohexyl)methyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 15957706
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 168291190
Benzamide, N,N'-(2-oxo-2-phenylethylidene)bis-
CID 1101094
N-[2-oxo-2-phenyl-1-(piperidin-1-yl)ethyl]benzamide
CID 2830322
N-(1-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-1-oxo-3-phenylpropan-2-yl)-3-fluorobenzamide
CID 17584196
6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-isopropyl-pyrimidine-2,4-dione
CID 45272480
7-benzyl-6-imino-2-oxo-N-phenacyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145972616

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (CID 2802825) is N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is Cc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is CBNMUUXYTARFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26).
What are the key properties of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 2802825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).