(2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide

C16H21ClN2O4 — CID 90779123

IUPAC(2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide
SMILESCC[C@@H](CC(=O)N1CCOCC1)C(=O)N(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O4/c1-2-12(11-15(20)18-7-9-23-10-8-18)16(21)19(22)14-5-3-13(17)4-6-14/h3-6,12,22H,2,7-11H2,1H3/t12-/m0/s1
InChIKeyCZVLYKBHOMFDDQ-LBPRGKRZSA-N
MW340.81 g/mol
LogP2.34
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide

(2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 90779123) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide
PubChem CID90779123
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name(2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide
SMILESCC[C@@H](CC(=O)N1CCOCC1)C(=O)N(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O4/c1-2-12(11-15(20)18-7-9-23-10-8-18)16(21)19(22)14-5-3-13(17)4-6-14/h3-6,12,22H,2,7-11H2,1H3/t12-/m0/s1
InChIKeyCZVLYKBHOMFDDQ-LBPRGKRZSA-N
XLogP2.34
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide (CID 90779123) is (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide is CC[C@@H](CC(=O)N1CCOCC1)C(=O)N(O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is CZVLYKBHOMFDDQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-2-12(11-15(20)18-7-9-23-10-8-18)16(21)19(22)14-5-3-13(17)4-6-14/h3-6,12,22H,2,7-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide?
(2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 340.81 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-ethyl-N-hydroxy-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 90779123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).