1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea

C16H24ClN3O — CID 108904741

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
SMILESCCN(CC)CCCNC(=O)N/C=C/c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-3-20(4-2)13-7-11-18-16(21)19-12-10-14-8-5-6-9-15(14)17/h5-6,8-10,12H,3-4,7,11,13H2,1-2H3,(H2,18,19,21)/b12-10+
InChIKeyUTLLGYIZHQLDRK-ZRDIBKRKSA-N
MW309.84 g/mol
LogP3.34
Rot. Bonds8

About 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea (PubChem CID 108904741) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
PubChem CID108904741
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
SMILESCCN(CC)CCCNC(=O)N/C=C/c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-3-20(4-2)13-7-11-18-16(21)19-12-10-14-8-5-6-9-15(14)17/h5-6,8-10,12H,3-4,7,11,13H2,1-2H3,(H2,18,19,21)/b12-10+
InChIKeyUTLLGYIZHQLDRK-ZRDIBKRKSA-N
XLogP3.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea
CID 108904820
1-(2-chloro-6-fluorophenyl)-3-[3-(diethylamino)propyl]urea
CID 108896533
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911426
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 17229720
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
CID 108904818
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea
CID 108904890
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906211

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea (CID 108904741) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea is CCN(CC)CCCNC(=O)N/C=C/c1ccccc1Cl.
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea?
The InChIKey is UTLLGYIZHQLDRK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-20(4-2)13-7-11-18-16(21)19-12-10-14-8-5-6-9-15(14)17/h5-6,8-10,12H,3-4,7,11,13H2,1-2H3,(H2,18,19,21)/b12-10+.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea has a molecular weight of 309.84 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea is sourced from PubChem (CID 108904741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).