N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide

C21H20N2O3 — CID 110505987

IUPACN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(OC)c1
InChIInChI=1S/C21H20N2O3/c1-3-26-20-12-11-15-7-4-5-10-18(15)19(20)14-22-23-21(24)16-8-6-9-17(13-16)25-2/h4-14H,3H2,1-2H3,(H,23,24)/b22-14+
InChIKeyPOVDHWQCWTTZDO-HYARGMPZSA-N
MW348.40 g/mol
LogP4.01
Rot. Bonds6

About N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide (PubChem CID 110505987) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
PubChem CID110505987
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(OC)c1
InChIInChI=1S/C21H20N2O3/c1-3-26-20-12-11-15-7-4-5-10-18(15)19(20)14-22-23-21(24)16-8-6-9-17(13-16)25-2/h4-14H,3H2,1-2H3,(H,23,24)/b22-14+
InChIKeyPOVDHWQCWTTZDO-HYARGMPZSA-N
XLogP4.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397757
[1-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6091808
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3714949
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 1124786
N-[2-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3702241
N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide
CID 126027142
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide (CID 110505987) is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide is CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
The InChIKey is POVDHWQCWTTZDO-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-20-12-11-15-7-4-5-10-18(15)19(20)14-22-23-21(24)16-8-6-9-17(13-16)25-2/h4-14H,3H2,1-2H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide?
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide has a molecular weight of 348.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 110505987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).