N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide

C20H18N2O — CID 4249042

IUPACN-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCCc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O/c1-2-15-10-12-16(13-11-15)14-21-22-20(23)19-9-5-7-17-6-3-4-8-18(17)19/h3-14H,2H2,1H3,(H,22,23)
InChIKeyJOXZOAPHQGDQMI-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.17
Rot. Bonds4

About N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 4249042) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID4249042
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCCc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O/c1-2-15-10-12-16(13-11-15)14-21-22-20(23)19-9-5-7-17-6-3-4-8-18(17)19/h3-14H,2H2,1H3,(H,22,23)
InChIKeyJOXZOAPHQGDQMI-UHFFFAOYSA-N
XLogP4.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide
CID 135621574
[2-ethoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 3513303
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 3779097
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 5170309
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide (CID 4249042) is N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide is CCc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is JOXZOAPHQGDQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-15-10-12-16(13-11-15)14-21-22-20(23)19-9-5-7-17-6-3-4-8-18(17)19/h3-14H,2H2,1H3,(H,22,23).
What are the key properties of N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 4249042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).