N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide

C20H18N4O4 — CID 135615711

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESCC(Nc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H18N4O4/c1-13(22-18-8-4-6-14-5-2-3-7-17(14)18)20(26)23-21-12-15-11-16(24(27)28)9-10-19(15)25/h2-13,22,25H,1H3,(H,23,26)/b21-12+
InChIKeyXVDZHTKKJIHMMF-CIAFOILYSA-N
MW378.39 g/mol
LogP3.40
Rot. Bonds6

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide (PubChem CID 135615711) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
PubChem CID135615711
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESCC(Nc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H18N4O4/c1-13(22-18-8-4-6-14-5-2-3-7-17(14)18)20(26)23-21-12-15-11-16(24(27)28)9-10-19(15)25/h2-13,22,25H,1H3,(H,23,26)/b21-12+
InChIKeyXVDZHTKKJIHMMF-CIAFOILYSA-N
XLogP3.40
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'-[(1E)-(5-hydroxy-2-nitrophenyl)methylene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 9557028
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
N'-[(1E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylene]-2-(1-naphthylamino)propanohydrazide
CID 135497964
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135497966
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135497967
N-(2,5-dimethylphenyl)-4-(2-{2-hydroxy-5-nitrobenzylidene}hydrazino)-4-oxobutanamide
CID 135418692
N-[2-[2-[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 135616988
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(phenylamino)acetohydrazide
CID 135821460
2-[(4-Bromophenyl)amino]-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]butanehydrazide
CID 135679122
N-(2,5-dimethylphenyl)-2-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-2-oxoacetamide
CID 135419543
2-(2-(3-Hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060528

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide (CID 135615711) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide is CC(Nc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The InChIKey is XVDZHTKKJIHMMF-CIAFOILYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-13(22-18-8-4-6-14-5-2-3-7-17(14)18)20(26)23-21-12-15-11-16(24(27)28)9-10-19(15)25/h2-13,22,25H,1H3,(H,23,26)/b21-12+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide has a molecular weight of 378.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide is sourced from PubChem (CID 135615711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).