(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide

C18H23N3O2 — CID 164634030

IUPAC(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide
SMILESCc1cc(=O)[nH]c(C(C)(C)NC(=O)[C@H](C)c2ccccc2C)n1
InChIInChI=1S/C18H23N3O2/c1-11-8-6-7-9-14(11)13(3)16(23)21-18(4,5)17-19-12(2)10-15(22)20-17/h6-10,13H,1-5H3,(H,21,23)(H,19,20,22)/t13-/m1/s1
InChIKeyFNABCLPXFQRZBE-CYBMUJFWSA-N
MW313.40 g/mol
LogP2.54
Rot. Bonds4

About (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide

(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide (PubChem CID 164634030) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide
PubChem CID164634030
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide
SMILESCc1cc(=O)[nH]c(C(C)(C)NC(=O)[C@H](C)c2ccccc2C)n1
InChIInChI=1S/C18H23N3O2/c1-11-8-6-7-9-14(11)13(3)16(23)21-18(4,5)17-19-12(2)10-15(22)20-17/h6-10,13H,1-5H3,(H,21,23)(H,19,20,22)/t13-/m1/s1
InChIKeyFNABCLPXFQRZBE-CYBMUJFWSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide?
The IUPAC name of (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide (CID 164634030) is (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide?
The canonical SMILES for (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide is Cc1cc(=O)[nH]c(C(C)(C)NC(=O)[C@H](C)c2ccccc2C)n1.
What is the InChIKey of (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide?
The InChIKey is FNABCLPXFQRZBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-8-6-7-9-14(11)13(3)16(23)21-18(4,5)17-19-12(2)10-15(22)20-17/h6-10,13H,1-5H3,(H,21,23)(H,19,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide?
(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propan-2-yl]-2-(2-methylphenyl)propanamide is sourced from PubChem (CID 164634030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).