(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C20H32N2O4 — CID 99778519

IUPAC(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@H](O)C1CCCCC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C20H32N2O4/c23-18(15-6-2-1-3-7-15)14-21-19(24)16-8-4-5-9-17(16)20(25)22-10-12-26-13-11-22/h4-5,15-18,23H,1-3,6-14H2,(H,21,24)/t16-,17-,18-/m0/s1
InChIKeyADLZCFPFSRVOSM-BZSNNMDCSA-N
MW364.49 g/mol
LogP1.49
Rot. Bonds5

About (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 99778519) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID99778519
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@H](O)C1CCCCC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C20H32N2O4/c23-18(15-6-2-1-3-7-15)14-21-19(24)16-8-4-5-9-17(16)20(25)22-10-12-26-13-11-22/h4-5,15-18,23H,1-3,6-14H2,(H,21,24)/t16-,17-,18-/m0/s1
InChIKeyADLZCFPFSRVOSM-BZSNNMDCSA-N
XLogP1.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
(1S,6S)-N-hex-5-ynyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99829878
[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
CID 129430953
N-cyclopentyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109131991
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 136534481
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
CID 120788183
N-(2-cyclopentyl-2-hydroxyethyl)-1-propanoylpiperidine-2-carboxamide
CID 111426381
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501
1-benzoyl-N-(2-cyclopentyl-2-hydroxyethyl)piperidine-4-carboxamide
CID 71991151

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 99778519) is (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is O=C(NC[C@H](O)C1CCCCC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ADLZCFPFSRVOSM-BZSNNMDCSA-N. The full InChI is InChI=1S/C20H32N2O4/c23-18(15-6-2-1-3-7-15)14-21-19(24)16-8-4-5-9-17(16)20(25)22-10-12-26-13-11-22/h4-5,15-18,23H,1-3,6-14H2,(H,21,24)/t16-,17-,18-/m0/s1.
What are the key properties of (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 99778519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).