N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide

C26H27N3O6 — CID 126020010

IUPACN-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C26H27N3O6/c1-4-34-24-14-18(16-27-29-26(31)19-8-7-9-20(15-19)32-2)12-13-23(24)35-17-25(30)28-21-10-5-6-11-22(21)33-3/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)/b27-16-
InChIKeyNHITYPBIAJCBLR-YUMHPJSZSA-N
MW477.52 g/mol
LogP3.88
Rot. Bonds11

About N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide

N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126020010) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126020010
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC NameN-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C26H27N3O6/c1-4-34-24-14-18(16-27-29-26(31)19-8-7-9-20(15-19)32-2)12-13-23(24)35-17-25(30)28-21-10-5-6-11-22(21)33-3/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)/b27-16-
InChIKeyNHITYPBIAJCBLR-YUMHPJSZSA-N
XLogP3.88
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
2-(3-chlorophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126027473
N-[(E)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126266935
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
N-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1276215
3,4-diethoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126307973
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methylbenzamide
CID 126014488
N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 4265248
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126022481
3-hydroxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016312

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide (CID 126020010) is N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide is CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1OC.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is NHITYPBIAJCBLR-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-4-34-24-14-18(16-27-29-26(31)19-8-7-9-20(15-19)32-2)12-13-23(24)35-17-25(30)28-21-10-5-6-11-22(21)33-3/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)/b27-16-.
What are the key properties of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 477.52 g/mol, XLogP of 3.88, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126020010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).