N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide

C17H18N2O4 — CID 134059556

IUPACN-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-21-15-9-8-14(10-16(15)22-2)19-17(20)13-6-4-12(5-7-13)11-18-23-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKeyNYWZPKFEGPCJOT-WOJGMQOQSA-N
MW314.34 g/mol
LogP2.94
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide

N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide (PubChem CID 134059556) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
PubChem CID134059556
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-21-15-9-8-14(10-16(15)22-2)19-17(20)13-6-4-12(5-7-13)11-18-23-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKeyNYWZPKFEGPCJOT-WOJGMQOQSA-N
XLogP2.94
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-(3,5-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059612
N-(3-hydroxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 78783765
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
CID 103598921
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide (CID 134059556) is N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide is CO/N=C/c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide?
The InChIKey is NYWZPKFEGPCJOT-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-15-9-8-14(10-16(15)22-2)19-17(20)13-6-4-12(5-7-13)11-18-23-3/h4-11H,1-3H3,(H,19,20)/b18-11+.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide has a molecular weight of 314.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide is sourced from PubChem (CID 134059556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).