N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

C20H18N2O2 — CID 110524945

IUPACN-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C20H18N2O2/c1-14-10-11-16-7-3-4-9-18(16)19(14)20(23)22-21-13-15-6-5-8-17(12-15)24-2/h3-13H,1-2H3,(H,22,23)/b21-13-
InChIKeySMZDTZGFUIMWEZ-BKUYFWCQSA-N
MW318.38 g/mol
LogP3.92
Rot. Bonds4

About N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (PubChem CID 110524945) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
PubChem CID110524945
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C20H18N2O2/c1-14-10-11-16-7-3-4-9-18(16)19(14)20(23)22-21-13-15-6-5-8-17(12-15)24-2/h3-13H,1-2H3,(H,22,23)/b21-13-
InChIKeySMZDTZGFUIMWEZ-BKUYFWCQSA-N
XLogP3.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.92
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

2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 110524827
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
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
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524805
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 12005134
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524931
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (CID 110524945) is N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is COc1cccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)c1.
What is the InChIKey of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The InChIKey is SMZDTZGFUIMWEZ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-10-11-16-7-3-4-9-18(16)19(14)20(23)22-21-13-15-6-5-8-17(12-15)24-2/h3-13H,1-2H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 110524945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).