(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide

C23H26Cl2N2O3 — CID 90357899

IUPAC(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide
SMILESCCC[C@@H](C(=O)N(C)C)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N2O3/c1-4-5-19(23(29)26(2)3)27-20(28)14-30-22(16-8-12-18(25)13-9-16)21(27)15-6-10-17(24)11-7-15/h6-13,19,21-22H,4-5,14H2,1-3H3/t19-,21-,22+/m0/s1
InChIKeyAEBYGXOLYVPIPA-ILWGZMRPSA-N
MW449.38 g/mol
LogP4.89
Rot. Bonds6

About (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide

(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide (PubChem CID 90357899) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide
PubChem CID90357899
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide
SMILESCCC[C@@H](C(=O)N(C)C)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N2O3/c1-4-5-19(23(29)26(2)3)27-20(28)14-30-22(16-8-12-18(25)13-9-16)21(27)15-6-10-17(24)11-7-15/h6-13,19,21-22H,4-5,14H2,1-3H3/t19-,21-,22+/m0/s1
InChIKeyAEBYGXOLYVPIPA-ILWGZMRPSA-N
XLogP4.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,6S)-5,6-bis(4-chlorophenyl)-4-[(2S)-1-hydroxypentan-2-yl]morpholin-3-one
CID 118622899
ethyl (2S)-2-[(2S,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]pentanoate
CID 154317202
(5S,6R)-4-[(2R)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
CID 90358282
4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
CID 90357016
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid
CID 90357267
2-[(2S,3R)-2-(4-chlorophenyl)-3-ethynyl-5-oxomorpholin-4-yl]pentanoic acid
CID 118622971
ethyl (2S)-2-[(2R,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 90347823
(6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-hydroxypentan-2-yl]morpholin-3-one
CID 90347762
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one
CID 123534629
(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
CID 90357019
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid
CID 90357436
ethyl 2-[2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-4,4,4-trifluorobutanoate
CID 123692320

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide?
The IUPAC name of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide (CID 90357899) is (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide.
What is the SMILES notation for (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide?
The canonical SMILES for (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide is CCC[C@@H](C(=O)N(C)C)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide?
The InChIKey is AEBYGXOLYVPIPA-ILWGZMRPSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-4-5-19(23(29)26(2)3)27-20(28)14-30-22(16-8-12-18(25)13-9-16)21(27)15-6-10-17(24)11-7-15/h6-13,19,21-22H,4-5,14H2,1-3H3/t19-,21-,22+/m0/s1.
What are the key properties of (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide?
(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide has a molecular weight of 449.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide is sourced from PubChem (CID 90357899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).