N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C26H22N2O4 — CID 71673973

IUPACN-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22N2O4/c1-31-21-11-7-17(8-12-21)25(18-9-13-22(32-2)14-10-18)27-28-26(30)23-15-19-5-3-4-6-20(19)16-24(23)29/h3-16,29H,1-2H3,(H,28,30)
InChIKeyURLFEEMCNZZGIA-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.74
Rot. Bonds6

About N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 71673973) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID71673973
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22N2O4/c1-31-21-11-7-17(8-12-21)25(18-9-13-22(32-2)14-10-18)27-28-26(30)23-15-19-5-3-4-6-20(19)16-24(23)29/h3-16,29H,1-2H3,(H,28,30)
InChIKeyURLFEEMCNZZGIA-UHFFFAOYSA-N
XLogP4.74
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.74
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
2-(dimethylamino)-5-[C-[4-(dimethylamino)-3-[hydroxy(oxido)azaniumyl]phenyl]-N-[(3-hydroxynaphthalene-2-carbonyl)amino]carbonimidoyl]-N-hydroxybenzeneamine oxide
CID 163163022
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
CID 7789595
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 141213886
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 71673973) is N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is COc1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is URLFEEMCNZZGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-21-11-7-17(8-12-21)25(18-9-13-22(32-2)14-10-18)27-28-26(30)23-15-19-5-3-4-6-20(19)16-24(23)29/h3-16,29H,1-2H3,(H,28,30).
What are the key properties of N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 71673973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).