N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide

C26H31FN4O4 — CID 24817894

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCCCCN(C(=O)c1ccccc1OCc1ccc(F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C26H31FN4O4/c1-4-5-14-30(22-23(28)31(15-17(2)3)26(34)29-24(22)32)25(33)20-8-6-7-9-21(20)35-16-18-10-12-19(27)13-11-18/h6-13,17H,4-5,14-16,28H2,1-3H3,(H,29,32,34)
InChIKeyZZKHMOJLGDFKMP-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.94
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 24817894) has the molecular formula C26H31FN4O4 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID24817894
Molecular FormulaC26H31FN4O4
Molecular Weight482.56 g/mol
Exact Mass482.23
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCCCCN(C(=O)c1ccccc1OCc1ccc(F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C26H31FN4O4/c1-4-5-14-30(22-23(28)31(15-17(2)3)26(34)29-24(22)32)25(33)20-8-6-7-9-21(20)35-16-18-10-12-19(27)13-11-18/h6-13,17H,4-5,14-16,28H2,1-3H3,(H,29,32,34)
InChIKeyZZKHMOJLGDFKMP-UHFFFAOYSA-N
XLogP3.94
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
2-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methoxy)benzamide
CID 25218487
2-(2-{3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}ethoxy)benzamide
CID 25218492
[4-[3-[(6-Amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylcarbamoyl]phenyl]phenyl] acetate
CID 2551566
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide
CID 2975559
N-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-ethoxy-benzamide
CID 3161227
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 24687512
2-methoxy-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 25161633
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-1-(2-methoxy-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 11330603
1-[(2-Ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 16023478
[(1R)-1-[[(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 164524618
2-{2-[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218490

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide (CID 24817894) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide is CCCCN(C(=O)c1ccccc1OCc1ccc(F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is ZZKHMOJLGDFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4/c1-4-5-14-30(22-23(28)31(15-17(2)3)26(34)29-24(22)32)25(33)20-8-6-7-9-21(20)35-16-18-10-12-19(27)13-11-18/h6-13,17H,4-5,14-16,28H2,1-3H3,(H,29,32,34).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 482.56 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 24817894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).