N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide

C17H18N2O4 — CID 5076368

IUPACN-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=C(C)c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C17H18N2O4/c1-11(12-7-8-15(20)16(10-12)23-3)18-19-17(21)13-5-4-6-14(9-13)22-2/h4-10,20H,1-3H3,(H,19,21)
InChIKeyNOGIAPNONMBHLO-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide

N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide (PubChem CID 5076368) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
PubChem CID5076368
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=C(C)c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C17H18N2O4/c1-11(12-7-8-15(20)16(10-12)23-3)18-19-17(21)13-5-4-6-14(9-13)22-2/h4-10,20H,1-3H3,(H,19,21)
InChIKeyNOGIAPNONMBHLO-UHFFFAOYSA-N
XLogP2.56
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-nitrobenzamide
CID 135615299
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135683419

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide (CID 5076368) is N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)NN=C(C)c2ccc(O)c(OC)c2)c1.
What is the InChIKey of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide?
The InChIKey is NOGIAPNONMBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(12-7-8-15(20)16(10-12)23-3)18-19-17(21)13-5-4-6-14(9-13)22-2/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide?
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 5076368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).