1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea

C18H21N3O — CID 108905529

IUPAC1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H21N3O/c1-14-6-4-7-15(12-14)10-11-19-18(22)20-16-8-5-9-17(13-16)21(2)3/h4-13H,1-3H3,(H2,19,20,22)/b11-10+
InChIKeyLMDVJIRGDZUHLS-ZHACJKMWSA-N
MW295.39 g/mol
LogP3.85
Rot. Bonds4

About 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea

1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905529) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905529
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H21N3O/c1-14-6-4-7-15(12-14)10-11-19-18(22)20-16-8-5-9-17(13-16)21(2)3/h4-13H,1-3H3,(H2,19,20,22)/b11-10+
InChIKeyLMDVJIRGDZUHLS-ZHACJKMWSA-N
XLogP3.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108905514
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905529) is 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is Cc1cccc(/C=C/NC(=O)Nc2cccc(N(C)C)c2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is LMDVJIRGDZUHLS-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-6-4-7-15(12-14)10-11-19-18(22)20-16-8-5-9-17(13-16)21(2)3/h4-13H,1-3H3,(H2,19,20,22)/b11-10+.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea has a molecular weight of 295.39 g/mol, XLogP of 3.85, 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]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).