2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide

C16H15N3O4 — CID 3910742

IUPAC2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOC(C(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-23-15(13-7-3-2-4-8-13)16(20)18-17-11-12-6-5-9-14(10-12)19(21)22/h2-11,15H,1H3,(H,18,20)
InChIKeyNLNKKBMSZJNJQS-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide

2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 3910742) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID3910742
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOC(C(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-23-15(13-7-3-2-4-8-13)16(20)18-17-11-12-6-5-9-14(10-12)19(21)22/h2-11,15H,1H3,(H,18,20)
InChIKeyNLNKKBMSZJNJQS-UHFFFAOYSA-N
XLogP2.43
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 7317170
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
(2S)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 137206870
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264
(2S)-2-methoxy-2-phenyl-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 7330109
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
2-(benzenesulfonamido)-3-methyl-N-[(3-nitrophenyl)methylideneamino]butanamide
CID 5196252
(2S)-2-(2,6-dimethylanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
CID 5410900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 3910742) is 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide is COC(C(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is NLNKKBMSZJNJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-15(13-7-3-2-4-8-13)16(20)18-17-11-12-6-5-9-14(10-12)19(21)22/h2-11,15H,1H3,(H,18,20).
What are the key properties of 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 313.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3910742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).