1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea

C16H19N3O — CID 110472246

IUPAC1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
SMILESCN(C)c1cccc(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c1-19(2)15-10-6-7-13(11-15)12-17-16(20)18-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H2,17,18,20)
InChIKeyGBBYVCIOEICQSH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.07
Rot. Bonds4

About 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea

1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea (PubChem CID 110472246) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
PubChem CID110472246
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
SMILESCN(C)c1cccc(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c1-19(2)15-10-6-7-13(11-15)12-17-16(20)18-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H2,17,18,20)
InChIKeyGBBYVCIOEICQSH-UHFFFAOYSA-N
XLogP3.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
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1-(4-anilinophenyl)-3-benzylurea
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1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
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CID 38294266
1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60607590
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
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1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110911011

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea (CID 110472246) is 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea is CN(C)c1cccc(CNC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea?
The InChIKey is GBBYVCIOEICQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)15-10-6-7-13(11-15)12-17-16(20)18-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea?
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea has a molecular weight of 269.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea is sourced from PubChem (CID 110472246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).