(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide

C18H19ClN2O4 — CID 95739540

IUPAC(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4/c1-20(10-14-4-3-9-24-14)18(23)17-16(21(2)15(22)11-25-17)12-5-7-13(19)8-6-12/h3-9,16-17H,10-11H2,1-2H3/t16-,17+/m1/s1
InChIKeyUUTACKJWLPUQIZ-SJORKVTESA-N
MW362.81 g/mol
LogP2.49
Rot. Bonds4

About (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide (PubChem CID 95739540) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide
PubChem CID95739540
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4/c1-20(10-14-4-3-9-24-14)18(23)17-16(21(2)15(22)11-25-17)12-5-7-13(19)8-6-12/h3-9,16-17H,10-11H2,1-2H3/t16-,17+/m1/s1
InChIKeyUUTACKJWLPUQIZ-SJORKVTESA-N
XLogP2.49
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 110280766
(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051160
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
CID 95739584
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
CID 95739719
(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
3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 71689388
(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 95739648

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide (CID 95739540) is (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide is CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide?
The InChIKey is UUTACKJWLPUQIZ-SJORKVTESA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-20(10-14-4-3-9-24-14)18(23)17-16(21(2)15(22)11-25-17)12-5-7-13(19)8-6-12/h3-9,16-17H,10-11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).