N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

C21H20N2O2 — CID 110524775

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O2/c1-3-25-18-12-9-16(10-13-18)14-22-23-21(24)20-15(2)8-11-17-6-4-5-7-19(17)20/h4-14H,3H2,1-2H3,(H,23,24)/b22-14-
InChIKeyOKETZIZNHKVILN-HMAPJEAMSA-N
MW332.40 g/mol
LogP4.31
Rot. Bonds5

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (PubChem CID 110524775) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
PubChem CID110524775
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O2/c1-3-25-18-12-9-16(10-13-18)14-22-23-21(24)20-15(2)8-11-17-6-4-5-7-19(17)20/h4-14H,3H2,1-2H3,(H,23,24)/b22-14-
InChIKeyOKETZIZNHKVILN-HMAPJEAMSA-N
XLogP4.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524921
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524945
2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 110524827
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524880
N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524805
3-chloro-N-[(4-ethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 4689415

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (CID 110524775) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is CCOc1ccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The InChIKey is OKETZIZNHKVILN-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-25-18-12-9-16(10-13-18)14-22-23-21(24)20-15(2)8-11-17-6-4-5-7-19(17)20/h4-14H,3H2,1-2H3,(H,23,24)/b22-14-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 110524775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).