1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea

C24H24N2O2 — CID 113215712

IUPAC1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea
SMILESCOc1ccc(C2(NC(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H24N2O2/c1-28-22-14-12-20(13-15-22)24(16-17-24)25-23(27)26(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,25,27)
InChIKeyCZHJQWUFDZPMDR-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.10
Rot. Bonds6

About 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea

1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea (PubChem CID 113215712) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea
PubChem CID113215712
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea
SMILESCOc1ccc(C2(NC(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H24N2O2/c1-28-22-14-12-20(13-15-22)24(16-17-24)25-23(27)26(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,25,27)
InChIKeyCZHJQWUFDZPMDR-UHFFFAOYSA-N
XLogP5.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
3-[[[1-(4-methoxyphenyl)cyclopropyl]amino]methyl]benzoic acid
CID 122031051
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
CID 113215580
methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
CID 110490764
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea (CID 113215712) is 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea is COc1ccc(C2(NC(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea?
The InChIKey is CZHJQWUFDZPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-28-22-14-12-20(13-15-22)24(16-17-24)25-23(27)26(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,25,27).
What are the key properties of 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea?
1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea has a molecular weight of 372.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea is sourced from PubChem (CID 113215712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).