2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide

C22H22N2O2 — CID 110524827

IUPAC2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1cccc(OC(C)C)c1
InChIInChI=1S/C22H22N2O2/c1-15(2)26-19-9-6-7-17(13-19)14-23-24-22(25)21-16(3)11-12-18-8-4-5-10-20(18)21/h4-15H,1-3H3,(H,24,25)/b23-14-
InChIKeyYUJHSYYMQNCDQC-UCQKPKSFSA-N
MW346.43 g/mol
LogP4.70
Rot. Bonds5

About 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide

2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 110524827) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID110524827
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1cccc(OC(C)C)c1
InChIInChI=1S/C22H22N2O2/c1-15(2)26-19-9-6-7-17(13-19)14-23-24-22(25)21-16(3)11-12-18-8-4-5-10-20(18)21/h4-15H,1-3H3,(H,24,25)/b23-14-
InChIKeyYUJHSYYMQNCDQC-UCQKPKSFSA-N
XLogP4.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.70
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'}

Analyze 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524945
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524775
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524921
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524931
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524805
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997
N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 3960762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 110524827) is 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)N/N=C\c1cccc(OC(C)C)c1.
What is the InChIKey of 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is YUJHSYYMQNCDQC-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(2)26-19-9-6-7-17(13-19)14-23-24-22(25)21-16(3)11-12-18-8-4-5-10-20(18)21/h4-15H,1-3H3,(H,24,25)/b23-14-.
What are the key properties of 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide?
2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 110524827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).