N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide

C16H16N2O4 — CID 4193667

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-8-15(22-2)12(9-14)10-17-18-16(20)11-3-5-13(19)6-4-11/h3-10,19H,1-2H3,(H,18,20)
InChIKeyNNBOVOUVFTYODC-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.17
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide

N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 4193667) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID4193667
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-8-15(22-2)12(9-14)10-17-18-16(20)11-3-5-13(19)6-4-11/h3-10,19H,1-2H3,(H,18,20)
InChIKeyNNBOVOUVFTYODC-UHFFFAOYSA-N
XLogP2.17
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 51061983
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 4193667) is N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide is COc1ccc(OC)c(C=NNC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is NNBOVOUVFTYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-7-8-15(22-2)12(9-14)10-17-18-16(20)11-3-5-13(19)6-4-11/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 300.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 4193667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).