1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea

C20H22N2O4 — CID 110613356

IUPAC1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea
SMILESCOc1ccc(C(=O)c2ccccc2NC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-16-8-6-14(7-9-16)19(23)17-4-2-3-5-18(17)22-20(24)21-15-10-12-26-13-11-15/h2-9,15H,10-13H2,1H3,(H2,21,22,24)
InChIKeyWBGGZWXYRXXAAS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea

1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea (PubChem CID 110613356) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea
PubChem CID110613356
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea
SMILESCOc1ccc(C(=O)c2ccccc2NC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-16-8-6-14(7-9-16)19(23)17-4-2-3-5-18(17)22-20(24)21-15-10-12-26-13-11-15/h2-9,15H,10-13H2,1H3,(H2,21,22,24)
InChIKeyWBGGZWXYRXXAAS-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
CID 110613344
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
CID 72902026
2-[(4-methoxybenzoyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 78809748
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
N-(2-benzoylphenyl)-2-morpholin-4-ylpropanamide
CID 17461516
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(2R)-N-[2-(4-methylbenzoyl)phenyl]-2-morpholin-4-ylpropanamide
CID 97426909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea (CID 110613356) is 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea is COc1ccc(C(=O)c2ccccc2NC(=O)NC2CCOCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea?
The InChIKey is WBGGZWXYRXXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-16-8-6-14(7-9-16)19(23)17-4-2-3-5-18(17)22-20(24)21-15-10-12-26-13-11-15/h2-9,15H,10-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea?
1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea has a molecular weight of 354.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110613356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).