1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea

C14H19ClN2O2 — CID 108908330

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-11-3-9-16-14(18)17-10-8-12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11H2,1H3,(H2,16,17,18)/b10-8+
InChIKeyXDUNJUVSGUBELA-CSKARUKUSA-N
MW282.77 g/mol
LogP3.04
Rot. Bonds7

About 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea (PubChem CID 108908330) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
PubChem CID108908330
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-11-3-9-16-14(18)17-10-8-12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11H2,1H3,(H2,16,17,18)/b10-8+
InChIKeyXDUNJUVSGUBELA-CSKARUKUSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.04
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-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
1-butyl-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907214
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
CID 108908327
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,2-dimethoxyethyl)urea
CID 108908518
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea (CID 108908330) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea is CCOCCCNC(=O)N/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea?
The InChIKey is XDUNJUVSGUBELA-CSKARUKUSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-19-11-3-9-16-14(18)17-10-8-12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11H2,1H3,(H2,16,17,18)/b10-8+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea has a molecular weight of 282.77 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 108908330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).