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

C16H19N3O3 — CID 2148511

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
SMILESCn1c(NC(=O)CCCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O3/c1-18-13(11-15(21)19(2)16(18)22)17-14(20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,17,20)
InChIKeyDOYFSHZIAIDCKN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.05
Rot. Bonds5

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

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide (PubChem CID 2148511) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
PubChem CID2148511
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
SMILESCn1c(NC(=O)CCCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O3/c1-18-13(11-15(21)19(2)16(18)22)17-14(20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,17,20)
InChIKeyDOYFSHZIAIDCKN-UHFFFAOYSA-N
XLogP1.05
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] benzoate
CID 23907176
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 156587114
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-anilinobenzoate
CID 23884247
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 4615529
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 119710915
N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
CID 42172348
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide (CID 2148511) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide is Cn1c(NC(=O)CCCc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide?
The InChIKey is DOYFSHZIAIDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-13(11-15(21)19(2)16(18)22)17-14(20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide has a molecular weight of 301.35 g/mol, XLogP of 1.05, 5 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)-4-phenylbutanamide is sourced from PubChem (CID 2148511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).