N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

C16H16N2O4 — CID 5427556

IUPACN-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-12(8-15(9-14)22-2)16(20)18-17-10-11-4-3-5-13(19)6-11/h3-10,19H,1-2H3,(H,18,20)/b17-10-
InChIKeyYLYWABVDDHDJBT-YVLHZVERSA-N
MW300.31 g/mol
LogP2.17
Rot. Bonds5

About N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 5427556) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID5427556
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-12(8-15(9-14)22-2)16(20)18-17-10-11-4-3-5-13(19)6-11/h3-10,19H,1-2H3,(H,18,20)/b17-10-
InChIKeyYLYWABVDDHDJBT-YVLHZVERSA-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-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6310576
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 5427556) is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C\c2cccc(O)c2)c1.
What is the InChIKey of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is YLYWABVDDHDJBT-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-7-12(8-15(9-14)22-2)16(20)18-17-10-11-4-3-5-13(19)6-11/h3-10,19H,1-2H3,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide 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-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 5427556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).