N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C29H28N2O4 — CID 6068388

IUPACN-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C29H28N2O4/c1-4-34-28-15-22(13-14-26(28)35-19-21-11-9-20(2)10-12-21)18-30-31-29(32)25-16-23-7-5-6-8-24(23)17-27(25)33-3/h5-18H,4,19H2,1-3H3,(H,31,32)/b30-18-
InChIKeyJCRZPDHGCOLBEQ-YKQZZPSBSA-N
MW468.55 g/mol
LogP5.90
Rot. Bonds9

About N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 6068388) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID6068388
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC NameN-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C29H28N2O4/c1-4-34-28-15-22(13-14-26(28)35-19-21-11-9-20(2)10-12-21)18-30-31-29(32)25-16-23-7-5-6-8-24(23)17-27(25)33-3/h5-18H,4,19H2,1-3H3,(H,31,32)/b30-18-
InChIKeyJCRZPDHGCOLBEQ-YKQZZPSBSA-N
XLogP5.90
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 55.90
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-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4320049
4-[[2-ethoxy-4-[(Z)-[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 6061464
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377691
N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4002606
4-ethoxy-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29148864
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3279486
N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 6068388) is N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is CCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is JCRZPDHGCOLBEQ-YKQZZPSBSA-N. The full InChI is InChI=1S/C29H28N2O4/c1-4-34-28-15-22(13-14-26(28)35-19-21-11-9-20(2)10-12-21)18-30-31-29(32)25-16-23-7-5-6-8-24(23)17-27(25)33-3/h5-18H,4,19H2,1-3H3,(H,31,32)/b30-18-.
What are the key properties of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 6068388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).