N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C27H23IN2O4 — CID 4002606

IUPACN-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C27H23IN2O4/c1-2-33-26-13-19(9-12-25(26)34-17-18-7-10-22(28)11-8-18)16-29-30-27(32)23-14-20-5-3-4-6-21(20)15-24(23)31/h3-16,31H,2,17H2,1H3,(H,30,32)
InChIKeyGUYSKUMEUSVCJF-UHFFFAOYSA-N
MW566.40 g/mol
LogP5.89
Rot. Bonds8

About N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 4002606) has the molecular formula C27H23IN2O4 and a molecular weight of 566.40 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID4002606
Molecular FormulaC27H23IN2O4
Molecular Weight566.40 g/mol
Exact Mass566.07
IUPAC NameN-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C27H23IN2O4/c1-2-33-26-13-19(9-12-25(26)34-17-18-7-10-22(28)11-8-18)16-29-30-27(32)23-14-20-5-3-4-6-21(20)15-24(23)31/h3-16,31H,2,17H2,1H3,(H,30,32)
InChIKeyGUYSKUMEUSVCJF-UHFFFAOYSA-N
XLogP5.89
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.40
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4517422
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4320049
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6068388
4-[[2-ethoxy-4-[(Z)-[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 6061464
N-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3893068
[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 3128062
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3272853
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126257098
4-[[2-chloro-6-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 5243084

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 4002606) is N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(I)cc1.
What is the InChIKey of N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is GUYSKUMEUSVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23IN2O4/c1-2-33-26-13-19(9-12-25(26)34-17-18-7-10-22(28)11-8-18)16-29-30-27(32)23-14-20-5-3-4-6-21(20)15-24(23)31/h3-16,31H,2,17H2,1H3,(H,30,32).
What are the key properties of N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 566.40 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 4002606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).