1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea

C16H19N3O2 — CID 108866355

IUPAC1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-19(2)14-6-4-5-13(11-14)18-16(20)17-12-7-9-15(21-3)10-8-12/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyJMZKNFPMDNGLQS-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.41
Rot. Bonds4

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

1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 108866355) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
PubChem CID108866355
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-19(2)14-6-4-5-13(11-14)18-16(20)17-12-7-9-15(21-3)10-8-12/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyJMZKNFPMDNGLQS-UHFFFAOYSA-N
XLogP3.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
N-[3-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438804
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea (CID 108866355) is 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is JMZKNFPMDNGLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)14-6-4-5-13(11-14)18-16(20)17-12-7-9-15(21-3)10-8-12/h4-11H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea?
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 108866355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).