4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide

C15H15N3O4 — CID 108807771

IUPAC4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C15H15N3O4/c1-22-11-4-2-10(3-5-11)12(19)6-7-14(20)17-13-8-9-16-15(21)18-13/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,20,21)
InChIKeyALDNVSHHYVFQND-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.38
Rot. Bonds6

About 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide

4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide (PubChem CID 108807771) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
PubChem CID108807771
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C15H15N3O4/c1-22-11-4-2-10(3-5-11)12(19)6-7-14(20)17-13-8-9-16-15(21)18-13/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,20,21)
InChIKeyALDNVSHHYVFQND-UHFFFAOYSA-N
XLogP1.38
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108796482
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 49025371
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
CID 49017115
3-(4-methoxyphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393499
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide (CID 108807771) is 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide is COc1ccc(C(=O)CCC(=O)Nc2ccnc(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide?
The InChIKey is ALDNVSHHYVFQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-22-11-4-2-10(3-5-11)12(19)6-7-14(20)17-13-8-9-16-15(21)18-13/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,20,21).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide?
4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide has a molecular weight of 301.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide is sourced from PubChem (CID 108807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).