1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide

C25H29N3O5 — CID 174497666

IUPAC1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCn1cc(C(=O)NCCc2ccccc2OC)c(=O)n(-c2ccccc2OC)c1=O
InChIInChI=1S/C25H29N3O5/c1-4-5-16-27-17-19(23(29)26-15-14-18-10-6-8-12-21(18)32-2)24(30)28(25(27)31)20-11-7-9-13-22(20)33-3/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,29)
InChIKeyDLSBOFFPYMREFV-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.79
Rot. Bonds10

About 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide

1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 174497666) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID174497666
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCn1cc(C(=O)NCCc2ccccc2OC)c(=O)n(-c2ccccc2OC)c1=O
InChIInChI=1S/C25H29N3O5/c1-4-5-16-27-17-19(23(29)26-15-14-18-10-6-8-12-21(18)32-2)24(30)28(25(27)31)20-11-7-9-13-22(20)33-3/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,29)
InChIKeyDLSBOFFPYMREFV-UHFFFAOYSA-N
XLogP2.79
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 174497600
2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 27756862
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108957803
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002
N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085401
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide (CID 174497666) is 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide is CCCCn1cc(C(=O)NCCc2ccccc2OC)c(=O)n(-c2ccccc2OC)c1=O.
What is the InChIKey of 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is DLSBOFFPYMREFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-4-5-16-27-17-19(23(29)26-15-14-18-10-6-8-12-21(18)32-2)24(30)28(25(27)31)20-11-7-9-13-22(20)33-3/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,29).
What are the key properties of 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide?
1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 174497666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).