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

C20H17N3O3 — CID 680358

IUPACN-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESCc1cc(=O)n([C@H](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)/t19-/m0/s1
InChIKeyCBNMUUXYTARFEC-IBGZPJMESA-N
MW347.37 g/mol
LogP2.36
Rot. Bonds5

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

N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (PubChem CID 680358) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
PubChem CID680358
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESCc1cc(=O)n([C@H](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)/t19-/m0/s1
InChIKeyCBNMUUXYTARFEC-IBGZPJMESA-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

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Related Compounds

N-[2,2,2-trichloro-1-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 2776004
N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
CID 648586
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1R)-2,2,2-trichloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 1097500
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
2,2-dibenzamidoacetic acid
CID 12521150

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (CID 680358) is N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is Cc1cc(=O)n([C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1.
What is the InChIKey of N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is CBNMUUXYTARFEC-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
N-[(1S)-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-[(1S)-1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 680358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).