1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea

C21H26N2O — CID 113214060

IUPAC1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1ccc(C2(CNC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)17-6-10-19(11-7-17)23-20(24)22-14-21(12-13-21)18-8-4-16(3)5-9-18/h4-11,15H,12-14H2,1-3H3,(H2,22,23,24)
InChIKeyYFKRJFPKBAODSF-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.97
Rot. Bonds5

About 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 113214060) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID113214060
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1ccc(C2(CNC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)17-6-10-19(11-7-17)23-20(24)22-14-21(12-13-21)18-8-4-16(3)5-9-18/h4-11,15H,12-14H2,1-3H3,(H2,22,23,24)
InChIKeyYFKRJFPKBAODSF-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea with MolForge

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Related Compounds

1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214100
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119780045
1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
CID 121179304

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea (CID 113214060) is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea is Cc1ccc(C2(CNC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is YFKRJFPKBAODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)17-6-10-19(11-7-17)23-20(24)22-14-21(12-13-21)18-8-4-16(3)5-9-18/h4-11,15H,12-14H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea?
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 322.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 113214060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).