N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide

C20H24N2O5 — CID 126324627

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-5-26-17-10-8-15(12-19(17)27-6-2)20(23)22-21-13-14-7-9-16(24-3)18(11-14)25-4/h7-13H,5-6H2,1-4H3,(H,22,23)/b21-13+
InChIKeyVXHGMCQOPQEVEA-FYJGNVAPSA-N
MW372.42 g/mol
LogP3.27
Rot. Bonds9

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide (PubChem CID 126324627) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
PubChem CID126324627
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-5-26-17-10-8-15(12-19(17)27-6-2)20(23)22-21-13-14-7-9-16(24-3)18(11-14)25-4/h7-13H,5-6H2,1-4H3,(H,22,23)/b21-13+
InChIKeyVXHGMCQOPQEVEA-FYJGNVAPSA-N
XLogP3.27
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3856625
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4255849
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 3777566
4-[[2-ethoxy-4-[(E)-[(4-ethoxy-3-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126321160
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide (CID 126324627) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide?
The InChIKey is VXHGMCQOPQEVEA-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-26-17-10-8-15(12-19(17)27-6-2)20(23)22-21-13-14-7-9-16(24-3)18(11-14)25-4/h7-13H,5-6H2,1-4H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide is sourced from PubChem (CID 126324627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).