(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide

C17H17N3O4 — CID 32840083

IUPAC(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O4/c21-17(18-14-7-4-8-15(11-14)20(22)23)19-9-10-24-16(12-19)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,18,21)/t16-/m1/s1
InChIKeyFMRVUKBFLAJEDA-MRXNPFEDSA-N
MW327.34 g/mol
LogP3.20
Rot. Bonds3

About (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide

(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide (PubChem CID 32840083) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
PubChem CID32840083
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O4/c21-17(18-14-7-4-8-15(11-14)20(22)23)19-9-10-24-16(12-19)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,18,21)/t16-/m1/s1
InChIKeyFMRVUKBFLAJEDA-MRXNPFEDSA-N
XLogP3.20
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 79831809
2-cyano-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 78946196
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
[2-(4-methylphenyl)morpholin-4-yl]-(3-nitrophenyl)methanone
CID 121134777
4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27869268
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
2-[1-[(3-nitrophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681624
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894667
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide (CID 32840083) is (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide?
The InChIKey is FMRVUKBFLAJEDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-17(18-14-7-4-8-15(11-14)20(22)23)19-9-10-24-16(12-19)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,18,21)/t16-/m1/s1.
What are the key properties of (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide?
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 32840083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).