1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea

C20H25N3O — CID 108905550

IUPAC1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O/c1-4-23(5-2)19-11-9-18(10-12-19)22-20(24)21-14-13-17-8-6-7-16(3)15-17/h6-15H,4-5H2,1-3H3,(H2,21,22,24)/b14-13+
InChIKeyOSNRRFJIEKWBGB-BUHFOSPRSA-N
MW323.44 g/mol
LogP4.63
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea

1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905550) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905550
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O/c1-4-23(5-2)19-11-9-18(10-12-19)22-20(24)21-14-13-17-8-6-7-16(3)15-17/h6-15H,4-5H2,1-3H3,(H2,21,22,24)/b14-13+
InChIKeyOSNRRFJIEKWBGB-BUHFOSPRSA-N
XLogP4.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108905514
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108906713
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
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-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905550) is 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is CCN(CC)c1ccc(NC(=O)N/C=C/c2cccc(C)c2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is OSNRRFJIEKWBGB-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-23(5-2)19-11-9-18(10-12-19)22-20(24)21-14-13-17-8-6-7-16(3)15-17/h6-15H,4-5H2,1-3H3,(H2,21,22,24)/b14-13+.
What are the key properties of 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea has a molecular weight of 323.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).