1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea

C16H15N3O2 — CID 43437768

IUPAC1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2OCC#N)cc1
InChIInChI=1S/C16H15N3O2/c1-12-6-8-13(9-7-12)18-16(20)19-14-4-2-3-5-15(14)21-11-10-17/h2-9H,11H2,1H3,(H2,18,19,20)
InChIKeyMHKXSRJVNSBTNX-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea

1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea (PubChem CID 43437768) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
PubChem CID43437768
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2OCC#N)cc1
InChIInChI=1S/C16H15N3O2/c1-12-6-8-13(9-7-12)18-16(20)19-14-4-2-3-5-15(14)21-11-10-17/h2-9H,11H2,1H3,(H2,18,19,20)
InChIKeyMHKXSRJVNSBTNX-UHFFFAOYSA-N
XLogP3.54
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369636
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
1-(2-ethoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297608
2-[4-[(4-methylphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580583
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
CID 63832381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea (CID 43437768) is 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2OCC#N)cc1.
What is the InChIKey of 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is MHKXSRJVNSBTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-6-8-13(9-7-12)18-16(20)19-14-4-2-3-5-15(14)21-11-10-17/h2-9H,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea?
1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 281.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 43437768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).