N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C19H23N3O3 — CID 131904345

IUPACN-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCCc1ccc(CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-13-4-6-14(7-5-13)11-22(15-8-9-15)17(23)10-16-12(2)20-19(25)21-18(16)24/h4-7,15H,3,8-11H2,1-2H3,(H2,20,21,24,25)
InChIKeyTZJNKUPJFXPGDO-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.67
Rot. Bonds6

About N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 131904345) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID131904345
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCCc1ccc(CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-13-4-6-14(7-5-13)11-22(15-8-9-15)17(23)10-16-12(2)20-19(25)21-18(16)24/h4-7,15H,3,8-11H2,1-2H3,(H2,20,21,24,25)
InChIKeyTZJNKUPJFXPGDO-UHFFFAOYSA-N
XLogP1.67
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 131904345) is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CCc1ccc(CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is TZJNKUPJFXPGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-13-4-6-14(7-5-13)11-22(15-8-9-15)17(23)10-16-12(2)20-19(25)21-18(16)24/h4-7,15H,3,8-11H2,1-2H3,(H2,20,21,24,25).
What are the key properties of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 131904345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).