1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea

C19H22N2O2 — CID 113215580

IUPAC1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
SMILESCOc1ccc(C2(NC(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-4-3-5-15(12-14)13-20-18(22)21-19(10-11-19)16-6-8-17(23-2)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyFDYVNUUQTBBSPW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.49
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea

1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 113215580) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID113215580
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
SMILESCOc1ccc(C2(NC(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-4-3-5-15(12-14)13-20-18(22)21-19(10-11-19)16-6-8-17(23-2)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyFDYVNUUQTBBSPW-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
3-[[[1-(4-methoxyphenyl)cyclopropyl]amino]methyl]benzoic acid
CID 122031051
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717
1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
CID 17367818
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea (CID 113215580) is 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea is COc1ccc(C2(NC(=O)NCc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is FDYVNUUQTBBSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-4-3-5-15(12-14)13-20-18(22)21-19(10-11-19)16-6-8-17(23-2)9-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea?
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 113215580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).