1-benzyl-3-[2-(dimethylamino)phenyl]urea

C16H19N3O — CID 47202175

IUPAC1-benzyl-3-[2-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccccc1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(2)15-11-7-6-10-14(15)18-16(20)17-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H2,17,18,20)
InChIKeyJIVDDRFOEBSSDC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.07
Rot. Bonds4

About 1-benzyl-3-[2-(dimethylamino)phenyl]urea

1-benzyl-3-[2-(dimethylamino)phenyl]urea (PubChem CID 47202175) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-benzyl-3-[2-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(dimethylamino)phenyl]urea
PubChem CID47202175
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-benzyl-3-[2-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccccc1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(2)15-11-7-6-10-14(15)18-16(20)17-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H2,17,18,20)
InChIKeyJIVDDRFOEBSSDC-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

1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009605
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(2-aminophenyl)-3-benzylurea
CID 86135193
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
CID 47248219
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
CID 111452985
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111116846
N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86996652
(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(dimethylamino)phenyl]urea?
The IUPAC name of 1-benzyl-3-[2-(dimethylamino)phenyl]urea (CID 47202175) is 1-benzyl-3-[2-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(dimethylamino)phenyl]urea is CN(C)c1ccccc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(dimethylamino)phenyl]urea?
The InChIKey is JIVDDRFOEBSSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)15-11-7-6-10-14(15)18-16(20)17-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-benzyl-3-[2-(dimethylamino)phenyl]urea?
1-benzyl-3-[2-(dimethylamino)phenyl]urea 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-benzyl-3-[2-(dimethylamino)phenyl]urea is sourced from PubChem (CID 47202175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).