(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide

C15H19ClN2O3 — CID 95739578

IUPAC(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-9(2)17-15(20)14-13(18(3)12(19)8-21-14)10-4-6-11(16)7-5-10/h4-7,9,13-14H,8H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyNOIIDLBTKYZCIE-KBPBESRZSA-N
MW310.78 g/mol
LogP1.76
Rot. Bonds3

About (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide

(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide (PubChem CID 95739578) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
PubChem CID95739578
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-9(2)17-15(20)14-13(18(3)12(19)8-21-14)10-4-6-11(16)7-5-10/h4-7,9,13-14H,8H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyNOIIDLBTKYZCIE-KBPBESRZSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739604
(2S,3S)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739605
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
CID 95739719
(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 95739648
3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 71689388
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739787
(2R,3S)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739671
(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739673
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689376

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide (CID 95739578) is (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide is CC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is NOIIDLBTKYZCIE-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(2)17-15(20)14-13(18(3)12(19)8-21-14)10-4-6-11(16)7-5-10/h4-7,9,13-14H,8H2,1-3H3,(H,17,20)/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 95739578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).