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

C19H22N2O3 — CID 110613344

IUPAC1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
SMILESCOc1ccc(C(=O)c2ccccc2NC(=O)NCC(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)12-20-19(23)21-17-7-5-4-6-16(17)18(22)14-8-10-15(24-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,20,21,23)
InChIKeyRHXDDNTYOCUCRT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.70
Rot. Bonds6

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

1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea (PubChem CID 110613344) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
PubChem CID110613344
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
SMILESCOc1ccc(C(=O)c2ccccc2NC(=O)NCC(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)12-20-19(23)21-17-7-5-4-6-16(17)18(22)14-8-10-15(24-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,20,21,23)
InChIKeyRHXDDNTYOCUCRT-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea
CID 110613356
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
CID 110609641
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
CID 102300318

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea (CID 110613344) is 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea is COc1ccc(C(=O)c2ccccc2NC(=O)NCC(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea?
The InChIKey is RHXDDNTYOCUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)12-20-19(23)21-17-7-5-4-6-16(17)18(22)14-8-10-15(24-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea?
1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea has a molecular weight of 326.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 110613344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).