N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide

C19H25N3O4 — CID 171353111

IUPACN-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCc1ccc([C@@H](O)CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)C)cc1
InChIInChI=1S/C19H25N3O4/c1-11(2)22(10-16(23)14-7-5-12(3)6-8-14)17(24)9-15-13(4)20-19(26)21-18(15)25/h5-8,11,16,23H,9-10H2,1-4H3,(H2,20,21,25,26)/t16-/m0/s1
InChIKeyYCYHWOCVJPVYBJ-INIZCTEOSA-N
MW359.43 g/mol
LogP1.19
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide

N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide (PubChem CID 171353111) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
PubChem CID171353111
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCc1ccc([C@@H](O)CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)C)cc1
InChIInChI=1S/C19H25N3O4/c1-11(2)22(10-16(23)14-7-5-12(3)6-8-14)17(24)9-15-13(4)20-19(26)21-18(15)25/h5-8,11,16,23H,9-10H2,1-4H3,(H2,20,21,25,26)/t16-/m0/s1
InChIKeyYCYHWOCVJPVYBJ-INIZCTEOSA-N
XLogP1.19
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide (CID 171353111) is N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide is Cc1ccc([C@@H](O)CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)C)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is YCYHWOCVJPVYBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11(2)22(10-16(23)14-7-5-12(3)6-8-14)17(24)9-15-13(4)20-19(26)21-18(15)25/h5-8,11,16,23H,9-10H2,1-4H3,(H2,20,21,25,26)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 359.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 171353111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).