(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide

C15H19ClN2O5 — CID 134701550

IUPAC(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)N(CCO)CCO)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C15H19ClN2O5/c16-11-4-2-1-3-10(11)13-14(23-9-12(21)17-13)15(22)18(5-7-19)6-8-20/h1-4,13-14,19-20H,5-9H2,(H,17,21)/t13-,14+/m1/s1
InChIKeyUESZTHPTDJZKBJ-KGLIPLIRSA-N
MW342.78 g/mol
LogP-0.29
Rot. Bonds6

About (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134701550) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
PubChem CID134701550
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)N(CCO)CCO)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C15H19ClN2O5/c16-11-4-2-1-3-10(11)13-14(23-9-12(21)17-13)15(22)18(5-7-19)6-8-20/h1-4,13-14,19-20H,5-9H2,(H,17,21)/t13-,14+/m1/s1
InChIKeyUESZTHPTDJZKBJ-KGLIPLIRSA-N
XLogP-0.29
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
CID 134712547
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
CID 134699286
(5R,6S)-5-(2-chlorophenyl)-6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-3-one
CID 134711176
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134699289
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
CID 154913644
(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)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134704571
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134696941
(2S,3R)-3-(2-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 157011885

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide (CID 134701550) is (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide is O=C1CO[C@H](C(=O)N(CCO)CCO)[C@@H](c2ccccc2Cl)N1.
What is the InChIKey of (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is UESZTHPTDJZKBJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19ClN2O5/c16-11-4-2-1-3-10(11)13-14(23-9-12(21)17-13)15(22)18(5-7-19)6-8-20/h1-4,13-14,19-20H,5-9H2,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134701550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).