(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide

C20H27ClN2O3 — CID 134712547

IUPAC(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
SMILESCCN(CC1CCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H27ClN2O3/c1-2-23(12-14-8-4-3-5-9-14)20(25)19-18(22-17(24)13-26-19)15-10-6-7-11-16(15)21/h6-7,10-11,14,18-19H,2-5,8-9,12-13H2,1H3,(H,22,24)/t18-,19+/m1/s1
InChIKeyJBVVDSQSSNVKIS-MOPGFXCFSA-N
MW378.90 g/mol
LogP3.32
Rot. Bonds5

About (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide (PubChem CID 134712547) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
PubChem CID134712547
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
SMILESCCN(CC1CCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H27ClN2O3/c1-2-23(12-14-8-4-3-5-9-14)20(25)19-18(22-17(24)13-26-19)15-10-6-7-11-16(15)21/h6-7,10-11,14,18-19H,2-5,8-9,12-13H2,1H3,(H,22,24)/t18-,19+/m1/s1
InChIKeyJBVVDSQSSNVKIS-MOPGFXCFSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550
(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134704571
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
CID 134699286
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134712566
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 156584032
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
CID 154913644
(2S,3R)-N-butyl-N-cycloheptyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134697254
(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134703136
N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
1-chloro-2-cyclohexylbenzene;pentan-3-one
CID 174383275

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide (CID 134712547) is (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide is CCN(CC1CCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide?
The InChIKey is JBVVDSQSSNVKIS-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-2-23(12-14-8-4-3-5-9-14)20(25)19-18(22-17(24)13-26-19)15-10-6-7-11-16(15)21/h6-7,10-11,14,18-19H,2-5,8-9,12-13H2,1H3,(H,22,24)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134712547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).