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

C23H24N2O — CID 110524921

IUPACN-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H24N2O/c1-16-9-12-18-7-5-6-8-20(18)21(16)22(26)25-24-15-17-10-13-19(14-11-17)23(2,3)4/h5-15H,1-4H3,(H,25,26)/b24-15-
InChIKeyUSFLEPUPXUJDAK-IWIPYMOSSA-N
MW344.46 g/mol
LogP5.21
Rot. Bonds3

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

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (PubChem CID 110524921) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
PubChem CID110524921
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H24N2O/c1-16-9-12-18-7-5-6-8-20(18)21(16)22(26)25-24-15-17-10-13-19(14-11-17)23(2,3)4/h5-15H,1-4H3,(H,25,26)/b24-15-
InChIKeyUSFLEPUPXUJDAK-IWIPYMOSSA-N
XLogP5.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.21
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-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524775
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
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
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524931
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524805
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524880
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5348423

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (CID 110524921) is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)N/N=C\c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The InChIKey is USFLEPUPXUJDAK-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H24N2O/c1-16-9-12-18-7-5-6-8-20(18)21(16)22(26)25-24-15-17-10-13-19(14-11-17)23(2,3)4/h5-15H,1-4H3,(H,25,26)/b24-15-.
What are the key properties of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 110524921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).