1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea

C12H17N3O — CID 108909610

IUPAC1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C12H17N3O/c1-4-8-13-12(16)14-10-6-5-7-11(9-10)15(2)3/h4-9H,1-3H3,(H2,13,14,16)/b8-4+
InChIKeyOKKPLOBWMMWIED-XBXARRHUSA-N
MW219.29 g/mol
LogP2.41
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea

1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea (PubChem CID 108909610) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
PubChem CID108909610
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C12H17N3O/c1-4-8-13-12(16)14-10-6-5-7-11(9-10)15(2)3/h4-9H,1-3H3,(H2,13,14,16)/b8-4+
InChIKeyOKKPLOBWMMWIED-XBXARRHUSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909659
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
CID 108914026
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811956
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea (CID 108909610) is 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea?
The InChIKey is OKKPLOBWMMWIED-XBXARRHUSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-8-13-12(16)14-10-6-5-7-11(9-10)15(2)3/h4-9H,1-3H3,(H2,13,14,16)/b8-4+.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea?
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea has a molecular weight of 219.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).