3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide

C18H23N3O3 — CID 47062727

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
SMILESCc1ccccc1CC(C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-11-6-4-5-7-14(11)10-12(2)19-16(22)9-8-15-13(3)20-18(24)21-17(15)23/h4-7,12H,8-10H2,1-3H3,(H,19,22)(H2,20,21,23,24)
InChIKeyNVHPXGDBWDGYIK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.36
Rot. Bonds6

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide (PubChem CID 47062727) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
PubChem CID47062727
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
SMILESCc1ccccc1CC(C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-11-6-4-5-7-14(11)10-12(2)19-16(22)9-8-15-13(3)20-18(24)21-17(15)23/h4-7,12H,8-10H2,1-3H3,(H,19,22)(H2,20,21,23,24)
InChIKeyNVHPXGDBWDGYIK-UHFFFAOYSA-N
XLogP1.36
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide (CID 47062727) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide is Cc1ccccc1CC(C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide?
The InChIKey is NVHPXGDBWDGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-6-4-5-7-14(11)10-12(2)19-16(22)9-8-15-13(3)20-18(24)21-17(15)23/h4-7,12H,8-10H2,1-3H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 47062727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).