N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide

C15H17N3O3 — CID 2148465

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide
SMILESCn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H17N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,19)
InChIKeyPWNLOMKLYXYKRC-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.66
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide (PubChem CID 2148465) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide
PubChem CID2148465
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide
SMILESCn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H17N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,19)
InChIKeyPWNLOMKLYXYKRC-UHFFFAOYSA-N
XLogP0.66
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide (CID 2148465) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide is Cn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide?
The InChIKey is PWNLOMKLYXYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide has a molecular weight of 287.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 2148465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).