1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea

C17H18N2O2 — CID 6422539

IUPAC1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C2CC2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-14-10-8-13(9-11-14)18-17(20)19-16-5-3-2-4-15(16)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H2,18,19,20)
InChIKeyRFHFNTVDKIXYCT-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.22
Rot. Bonds4

About 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea

1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea (PubChem CID 6422539) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
PubChem CID6422539
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C2CC2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-14-10-8-13(9-11-14)18-17(20)19-16-5-3-2-4-15(16)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H2,18,19,20)
InChIKeyRFHFNTVDKIXYCT-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
CID 6422377
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
CID 43602404
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea (CID 6422539) is 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2C2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is RFHFNTVDKIXYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-14-10-8-13(9-11-14)18-17(20)19-16-5-3-2-4-15(16)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea?
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 282.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 6422539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).