(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide

C20H20ClNO3 — CID 17195491

IUPAC(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H20ClNO3/c21-16-6-3-15(4-7-16)5-12-20(23)22-17-8-10-18(11-9-17)25-14-19-2-1-13-24-19/h3-12,19H,1-2,13-14H2,(H,22,23)/b12-5+
InChIKeyOARNQTXLYNEMJF-LFYBBSHMSA-N
MW357.84 g/mol
LogP4.55
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 17195491) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID17195491
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H20ClNO3/c21-16-6-3-15(4-7-16)5-12-20(23)22-17-8-10-18(11-9-17)25-14-19-2-1-13-24-19/h3-12,19H,1-2,13-14H2,(H,22,23)/b12-5+
InChIKeyOARNQTXLYNEMJF-LFYBBSHMSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17186947
3-(3,4-dimethoxyphenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 4957942
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
3-(4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 4958040
3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 76869524
(E)-3-(3-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17176026
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958006
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide (CID 17195491) is (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is OARNQTXLYNEMJF-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-16-6-3-15(4-7-16)5-12-20(23)22-17-8-10-18(11-9-17)25-14-19-2-1-13-24-19/h3-12,19H,1-2,13-14H2,(H,22,23)/b12-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 357.84 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 17195491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).