2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide

C19H19N3O5 — CID 40601796

IUPAC2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O5/c23-18(20-15-6-8-16(9-7-15)22(25)26)12-17-19(24)27-11-10-21(17)13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,20,23)/t17-/m0/s1
InChIKeyVTSOYWNZTBQIEN-KRWDZBQOSA-N
MW369.38 g/mol
LogP2.35
Rot. Bonds6

About 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide

2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 40601796) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide
PubChem CID40601796
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O5/c23-18(20-15-6-8-16(9-7-15)22(25)26)12-17-19(24)27-11-10-21(17)13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,20,23)/t17-/m0/s1
InChIKeyVTSOYWNZTBQIEN-KRWDZBQOSA-N
XLogP2.35
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41475117
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3-chlorophenyl)acetamide
CID 25420567
dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41090664
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 41475064
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 41281565
2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 41475014
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
(3S)-4-benzyl-3-phenylmorpholin-2-one
CID 15871960
(3R)-4-benzyl-3-phenylmorpholin-2-one
CID 12968270
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide (CID 40601796) is 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide is O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is VTSOYWNZTBQIEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-18(20-15-6-8-16(9-7-15)22(25)26)12-17-19(24)27-11-10-21(17)13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,20,23)/t17-/m0/s1.
What are the key properties of 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide?
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 40601796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).