(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide

C18H22Cl2N2O2 — CID 10270426

IUPAC(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCOCC1
InChIInChI=1S/C18H22Cl2N2O2/c19-16-7-6-15(14-17(16)20)4-1-2-5-18(23)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7,14H,3,8-13H2,(H,21,23)/b4-1+,5-2+
InChIKeyNCPUGNZSUOHSQQ-GRSRPBPQSA-N
MW369.29 g/mol
LogP3.40
Rot. Bonds7

About (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide

(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide (PubChem CID 10270426) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
PubChem CID10270426
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCOCC1
InChIInChI=1S/C18H22Cl2N2O2/c19-16-7-6-15(14-17(16)20)4-1-2-5-18(23)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7,14H,3,8-13H2,(H,21,23)/b4-1+,5-2+
InChIKeyNCPUGNZSUOHSQQ-GRSRPBPQSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide
CID 85073781
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
CID 101018068
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide
CID 10110361
(E)-3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2259539
1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411374
(E)-3-(4-chlorophenyl)-N-[5-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-yl]pentyl]prop-2-enamide
CID 44529356
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide (CID 10270426) is (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide is O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCOCC1.
What is the InChIKey of (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide?
The InChIKey is NCPUGNZSUOHSQQ-GRSRPBPQSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c19-16-7-6-15(14-17(16)20)4-1-2-5-18(23)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7,14H,3,8-13H2,(H,21,23)/b4-1+,5-2+.
What are the key properties of (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide?
(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide has a molecular weight of 369.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide is sourced from PubChem (CID 10270426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).