(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide

C15H17ClN2O3 — CID 95739719

IUPAC(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c1-3-8-17-15(20)14-13(18(2)12(19)9-21-14)10-4-6-11(16)7-5-10/h3-7,13-14H,1,8-9H2,2H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyKLNLQTSGYIIZOG-UONOGXRCSA-N
MW308.77 g/mol
LogP1.54
Rot. Bonds4

About (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide

(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide (PubChem CID 95739719) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
PubChem CID95739719
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c1-3-8-17-15(20)14-13(18(2)12(19)9-21-14)10-4-6-11(16)7-5-10/h3-7,13-14H,1,8-9H2,2H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyKLNLQTSGYIIZOG-UONOGXRCSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide (CID 95739719) is (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide is C=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide?
The InChIKey is KLNLQTSGYIIZOG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-8-17-15(20)14-13(18(2)12(19)9-21-14)10-4-6-11(16)7-5-10/h3-7,13-14H,1,8-9H2,2H3,(H,17,20)/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide?
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide is sourced from PubChem (CID 95739719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).