4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide

C12H15N3O4 — CID 2832941

IUPAC4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
SMILESCC(O)CCC(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-9(16)5-6-12(17)14-13-8-10-3-2-4-11(7-10)15(18)19/h2-4,7-9,16H,5-6H2,1H3,(H,14,17)
InChIKeyQNWLTFBACLNEHB-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.21
Rot. Bonds6

About 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide

4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide (PubChem CID 2832941) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
PubChem CID2832941
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
SMILESCC(O)CCC(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-9(16)5-6-12(17)14-13-8-10-3-2-4-11(7-10)15(18)19/h2-4,7-9,16H,5-6H2,1H3,(H,14,17)
InChIKeyQNWLTFBACLNEHB-UHFFFAOYSA-N
XLogP1.21
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
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

N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 3834510
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide?
The IUPAC name of 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide (CID 2832941) is 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide is CC(O)CCC(=O)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide?
The InChIKey is QNWLTFBACLNEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-9(16)5-6-12(17)14-13-8-10-3-2-4-11(7-10)15(18)19/h2-4,7-9,16H,5-6H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide?
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide has a molecular weight of 265.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide is sourced from PubChem (CID 2832941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).