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

C23H26Cl2N2O4 — CID 90357477

IUPACN-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide
SMILESCCCCC(=O)N(CCO)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N2O4/c1-2-3-4-20(29)26(13-14-28)27-21(30)15-31-23(17-7-11-19(25)12-8-17)22(27)16-5-9-18(24)10-6-16/h5-12,22-23,28H,2-4,13-15H2,1H3/t22-,23+/m0/s1
InChIKeyURKYATFHRALSJK-XZOQPEGZSA-N
MW465.38 g/mol
LogP4.56
Rot. Bonds8

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

N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide (PubChem CID 90357477) has the molecular formula C23H26Cl2N2O4 and a molecular weight of 465.38 g/mol. Its IUPAC name is N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide.

Molecular Properties

Compound NameN-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide
PubChem CID90357477
Molecular FormulaC23H26Cl2N2O4
Molecular Weight465.38 g/mol
Exact Mass464.13
IUPAC NameN-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide
SMILESCCCCC(=O)N(CCO)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N2O4/c1-2-3-4-20(29)26(13-14-28)27-21(30)15-31-23(17-7-11-19(25)12-8-17)22(27)16-5-9-18(24)10-6-16/h5-12,22-23,28H,2-4,13-15H2,1H3/t22-,23+/m0/s1
InChIKeyURKYATFHRALSJK-XZOQPEGZSA-N
XLogP4.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-((2S,5R,6S)-2-(4-Fluorobenzyl)-5,6-bis(4-chlorophenyl)-3-oxomorpholino)pentanoic acid
CID 71305072
{(2s,5r,6s)-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-4-[(2s)-1-Hydroxybutan-2-Yl]-3-Oxomorpholin-2-Yl}acetic Acid
CID 71305074
(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Chlorophenyl)-4-Methylmorpholin-3-One
CID 71305071
(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 71663529
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride
CID 45481613
(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one
CID 71663526
(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
CID 71663528
(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[2-(methylamino)ethyl]morpholin-3-one
CID 71663697
3-[(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]propanoic acid
CID 71663698
US11407721, Example 29
CID 86282047
US11407721, Example 48
CID 86282600
US11407721, Example 47
CID 86282601

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide?
The IUPAC name of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide (CID 90357477) is N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide.
What is the SMILES notation for N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide?
The canonical SMILES for N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide is CCCCC(=O)N(CCO)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide?
The InChIKey is URKYATFHRALSJK-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4/c1-2-3-4-20(29)26(13-14-28)27-21(30)15-31-23(17-7-11-19(25)12-8-17)22(27)16-5-9-18(24)10-6-16/h5-12,22-23,28H,2-4,13-15H2,1H3/t22-,23+/m0/s1.
What are the key properties of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide?
N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide has a molecular weight of 465.38 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide is sourced from PubChem (CID 90357477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).