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

C14H20ClN3O — CID 108906605

IUPAC1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-18(2)10-4-8-16-14(19)17-9-7-12-5-3-6-13(15)11-12/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,16,17,19)/b9-7+
InChIKeyQEFKTTAQESFFLV-VQHVLOKHSA-N
MW281.79 g/mol
LogP2.56
Rot. Bonds6

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

1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea (PubChem CID 108906605) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
PubChem CID108906605
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-18(2)10-4-8-16-14(19)17-9-7-12-5-3-6-13(15)11-12/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,16,17,19)/b9-7+
InChIKeyQEFKTTAQESFFLV-VQHVLOKHSA-N
XLogP2.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]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-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea
CID 108906642
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906751
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108906596
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 108906672
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
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-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea?
The IUPAC name of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea (CID 108906605) is 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea.
What is the SMILES notation for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea?
The canonical SMILES for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea is CN(C)CCCNC(=O)N/C=C/c1cccc(Cl)c1.
What is the InChIKey of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea?
The InChIKey is QEFKTTAQESFFLV-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(2)10-4-8-16-14(19)17-9-7-12-5-3-6-13(15)11-12/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,16,17,19)/b9-7+.
What are the key properties of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea?
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea has a molecular weight of 281.79 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea is sourced from PubChem (CID 108906605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).