N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C20H24N2O4 — CID 19133552

IUPACN-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4/c1-14(23)15-6-8-16(9-7-15)21-19(24)17-4-2-3-5-18(17)20(25)22-10-12-26-13-11-22/h2-3,6-9,17-18H,4-5,10-13H2,1H3,(H,21,24)
InChIKeyMLSUJHBDRHHZGO-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.27
Rot. Bonds4

About N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 19133552) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID19133552
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4/c1-14(23)15-6-8-16(9-7-15)21-19(24)17-4-2-3-5-18(17)20(25)22-10-12-26-13-11-22/h2-3,6-9,17-18H,4-5,10-13H2,1H3,(H,21,24)
InChIKeyMLSUJHBDRHHZGO-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
(1S,6R)-6-[(4-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7028285
(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 124621745
N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 19133552) is N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is CC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is MLSUJHBDRHHZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(23)15-6-8-16(9-7-15)21-19(24)17-4-2-3-5-18(17)20(25)22-10-12-26-13-11-22/h2-3,6-9,17-18H,4-5,10-13H2,1H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 19133552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).