1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea

C16H19N3O2 — CID 43602404

IUPAC1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
SMILESCNCc1ccccc1NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-17-11-12-5-3-4-6-15(12)19-16(20)18-13-7-9-14(21-2)10-8-13/h3-10,17H,11H2,1-2H3,(H2,18,19,20)
InChIKeyGJNNUILLQYZLGC-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea

1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea (PubChem CID 43602404) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
PubChem CID43602404
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
SMILESCNCc1ccccc1NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-17-11-12-5-3-4-6-15(12)19-16(20)18-13-7-9-14(21-2)10-8-13/h3-10,17H,11H2,1-2H3,(H2,18,19,20)
InChIKeyGJNNUILLQYZLGC-UHFFFAOYSA-N
XLogP3.06
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-(4-hydroxyphenyl)-3-[2-(methoxymethyl)phenyl]urea
CID 86800658
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea (CID 43602404) is 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea is CNCc1ccccc1NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea?
The InChIKey is GJNNUILLQYZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-11-12-5-3-4-6-15(12)19-16(20)18-13-7-9-14(21-2)10-8-13/h3-10,17H,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea?
1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea has a molecular weight of 285.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea is sourced from PubChem (CID 43602404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).