N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

C20H18N4O5 — CID 3248879

IUPACN-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESCOc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O5/c1-29-17-9-15(20(26)18(10-17)24(27)28)11-22-23-19(25)12-21-16-7-6-13-4-2-3-5-14(13)8-16/h2-11,21,26H,12H2,1H3,(H,23,25)
InChIKeyRHAMHPVIBHPGDJ-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.02
Rot. Bonds7

About N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 3248879) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID3248879
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESCOc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O5/c1-29-17-9-15(20(26)18(10-17)24(27)28)11-22-23-19(25)12-21-16-7-6-13-4-2-3-5-14(13)8-16/h2-11,21,26H,12H2,1H3,(H,23,25)
InChIKeyRHAMHPVIBHPGDJ-UHFFFAOYSA-N
XLogP3.02
TPSA126.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135831238
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263
4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate
CID 7083716
2-(2,5-dimethylphenyl)-N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 137180756
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 135562646
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide
CID 135725870
N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 136919359
(2R)-2-anilino-N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]butanamide
CID 135750369
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135579099
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3975909

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 3248879) is N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is COc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is RHAMHPVIBHPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-29-17-9-15(20(26)18(10-17)24(27)28)11-22-23-19(25)12-21-16-7-6-13-4-2-3-5-14(13)8-16/h2-11,21,26H,12H2,1H3,(H,23,25).
What are the key properties of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 3248879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).