N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide

C28H25N3O4 — CID 126015806

IUPACN-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H25N3O4/c1-19-7-12-24(13-8-19)30-27(32)18-35-25-14-9-20(15-26(25)34-2)17-29-31-28(33)23-11-10-21-5-3-4-6-22(21)16-23/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKeyCARQGVYNPPMZBC-STBIYBPSSA-N
MW467.53 g/mol
LogP4.94
Rot. Bonds8

About N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide

N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 126015806) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
PubChem CID126015806
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H25N3O4/c1-19-7-12-24(13-8-19)30-27(32)18-35-25-14-9-20(15-26(25)34-2)17-29-31-28(33)23-11-10-21-5-3-4-6-22(21)16-23/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKeyCARQGVYNPPMZBC-STBIYBPSSA-N
XLogP4.94
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
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-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126019920
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
4-ethoxy-3-methoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126317421
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126015220
3,4-diethoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126307973
4-bromo-N-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012619
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 126310382
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126341447
4-[(2E)-2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 45466645

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide (CID 126015806) is N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is CARQGVYNPPMZBC-STBIYBPSSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-19-7-12-24(13-8-19)30-27(32)18-35-25-14-9-20(15-26(25)34-2)17-29-31-28(33)23-11-10-21-5-3-4-6-22(21)16-23/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b29-17+.
What are the key properties of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 126015806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).