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

C27H33Cl2N3O4 — CID 90357512

IUPACN-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCN1CCOCC1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C27H33Cl2N3O4/c1-2-3-4-24(33)31(14-13-30-15-17-35-18-16-30)32-25(34)19-36-27(21-7-11-23(29)12-8-21)26(32)20-5-9-22(28)10-6-20/h5-12,26-27H,2-4,13-19H2,1H3/t26-,27+/m0/s1
InChIKeyUZAUXGPJLQBKMV-RRPNLBNLSA-N
MW534.48 g/mol
LogP4.90
Rot. Bonds9

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

N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 90357512) has the molecular formula C27H33Cl2N3O4 and a molecular weight of 534.48 g/mol. Its IUPAC name is N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound NameN-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID90357512
Molecular FormulaC27H33Cl2N3O4
Molecular Weight534.48 g/mol
Exact Mass533.18
IUPAC NameN-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCN1CCOCC1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C27H33Cl2N3O4/c1-2-3-4-24(33)31(14-13-30-15-17-35-18-16-30)32-25(34)19-36-27(21-7-11-23(29)12-8-21)26(32)20-5-9-22(28)10-6-20/h5-12,26-27H,2-4,13-19H2,1H3/t26-,27+/m0/s1
InChIKeyUZAUXGPJLQBKMV-RRPNLBNLSA-N
XLogP4.90
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide (CID 90357512) is N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide is CCCCC(=O)N(CCN1CCOCC1)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-morpholin-4-ylethyl)pentanamide?
The InChIKey is UZAUXGPJLQBKMV-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H33Cl2N3O4/c1-2-3-4-24(33)31(14-13-30-15-17-35-18-16-30)32-25(34)19-36-27(21-7-11-23(29)12-8-21)26(32)20-5-9-22(28)10-6-20/h5-12,26-27H,2-4,13-19H2,1H3/t26-,27+/m0/s1.
What are the key properties of N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 534.48 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 90357512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).