3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide

C18H23N3O3 — CID 30865543

IUPAC3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-11(2)13-5-7-14(8-6-13)20-16(22)10-9-15-12(3)19-18(24)21(4)17(15)23/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyABBYZIWRFMUPID-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds5

About 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 30865543) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID30865543
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-11(2)13-5-7-14(8-6-13)20-16(22)10-9-15-12(3)19-18(24)21(4)17(15)23/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyABBYZIWRFMUPID-UHFFFAOYSA-N
XLogP2.08
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 30865543) is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide is Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ABBYZIWRFMUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)13-5-7-14(8-6-13)20-16(22)10-9-15-12(3)19-18(24)21(4)17(15)23/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,20,22).
What are the key properties of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide?
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 30865543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).