(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

C23H33ClN2O4 — CID 37259649

IUPAC(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESCCOc1c(Cl)cc(/C=C/C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC
InChIInChI=1S/C23H33ClN2O4/c1-3-30-22-19(24)15-18(16-20(22)28-2)7-8-21(27)25-17-23(9-5-4-6-10-23)26-11-13-29-14-12-26/h7-8,15-16H,3-6,9-14,17H2,1-2H3,(H,25,27)/b8-7+
InChIKeyVLZCRXQZIUXRHO-BQYQJAHWSA-N
MW436.98 g/mol
LogP3.91
Rot. Bonds8

About (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (PubChem CID 37259649) has the molecular formula C23H33ClN2O4 and a molecular weight of 436.98 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
PubChem CID37259649
Molecular FormulaC23H33ClN2O4
Molecular Weight436.98 g/mol
Exact Mass436.21
IUPAC Name(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESCCOc1c(Cl)cc(/C=C/C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC
InChIInChI=1S/C23H33ClN2O4/c1-3-30-22-19(24)15-18(16-20(22)28-2)7-8-21(27)25-17-23(9-5-4-6-10-23)26-11-13-29-14-12-26/h7-8,15-16H,3-6,9-14,17H2,1-2H3,(H,25,27)/b8-7+
InChIKeyVLZCRXQZIUXRHO-BQYQJAHWSA-N
XLogP3.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 55476142
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 55814699
N-[2-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629549
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 76860857
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205539
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 4579015
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 6155213
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 17495512

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (CID 37259649) is (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is CCOc1c(Cl)cc(/C=C/C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC.
What is the InChIKey of (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The InChIKey is VLZCRXQZIUXRHO-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H33ClN2O4/c1-3-30-22-19(24)15-18(16-20(22)28-2)7-8-21(27)25-17-23(9-5-4-6-10-23)26-11-13-29-14-12-26/h7-8,15-16H,3-6,9-14,17H2,1-2H3,(H,25,27)/b8-7+.
What are the key properties of (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide has a molecular weight of 436.98 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is sourced from PubChem (CID 37259649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).