N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide

C21H26N2O4 — CID 110505837

IUPACN-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C21H26N2O4/c1-4-6-13-27-19-12-11-16(14-20(19)26-5-2)15-22-23-21(24)17-9-7-8-10-18(17)25-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,23,24)/b22-15+
InChIKeyGLGWJQOWGMXRNU-PXLXIMEGSA-N
MW370.45 g/mol
LogP4.04
Rot. Bonds10

About N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide

N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 110505837) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID110505837
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C21H26N2O4/c1-4-6-13-27-19-12-11-16(14-20(19)26-5-2)15-22-23-21(24)17-9-7-8-10-18(17)25-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,23,24)/b22-15+
InChIKeyGLGWJQOWGMXRNU-PXLXIMEGSA-N
XLogP4.04
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4289285
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide (CID 110505837) is N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide is CCCCOc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1OCC.
What is the InChIKey of N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is GLGWJQOWGMXRNU-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-6-13-27-19-12-11-16(14-20(19)26-5-2)15-22-23-21(24)17-9-7-8-10-18(17)25-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide?
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 110505837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).