N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide

C21H21N3O2 — CID 70924516

IUPACN-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide
SMILESCc1cnc([C@@H](NC(=O)Cc2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C21H21N3O2/c1-15-14-22-20(24(2)21(15)26)19(17-11-7-4-8-12-17)23-18(25)13-16-9-5-3-6-10-16/h3-12,14,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyJSCMBXOPLVHSSF-IBGZPJMESA-N
MW347.42 g/mol
LogP2.54
Rot. Bonds5

About N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide

N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide (PubChem CID 70924516) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide
PubChem CID70924516
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide
SMILESCc1cnc([C@@H](NC(=O)Cc2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C21H21N3O2/c1-15-14-22-20(24(2)21(15)26)19(17-11-7-4-8-12-17)23-18(25)13-16-9-5-3-6-10-16/h3-12,14,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyJSCMBXOPLVHSSF-IBGZPJMESA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide
CID 70924531
N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide
CID 58751803
N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide
CID 95289334
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
CID 163538506
CID 163538506
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide?
The IUPAC name of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide (CID 70924516) is N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide?
The canonical SMILES for N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide is Cc1cnc([C@@H](NC(=O)Cc2ccccc2)c2ccccc2)n(C)c1=O.
What is the InChIKey of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide?
The InChIKey is JSCMBXOPLVHSSF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-14-22-20(24(2)21(15)26)19(17-11-7-4-8-12-17)23-18(25)13-16-9-5-3-6-10-16/h3-12,14,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide?
N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide has a molecular weight of 347.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide is sourced from PubChem (CID 70924516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).