N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

C20H18N2O3 — CID 6874153

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OC
InChIInChI=1S/C20H18N2O3/c1-24-18-12-6-9-15(19(18)25-2)13-21-22-20(23)17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,1-2H3,(H,22,23)/b21-13+
InChIKeyHOBRIIGSRXYULO-FYJGNVAPSA-N
MW334.38 g/mol
LogP3.62
Rot. Bonds5

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 6874153) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID6874153
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OC
InChIInChI=1S/C20H18N2O3/c1-24-18-12-6-9-15(19(18)25-2)13-21-22-20(23)17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,1-2H3,(H,22,23)/b21-13+
InChIKeyHOBRIIGSRXYULO-FYJGNVAPSA-N
XLogP3.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
7,8-Dimethoxy-1(2H)-phthalazinone
CID 663985
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
1-Naphthalenecarboxylic acid, 2-(3-methoxybenzoyl)hydrazide
CID 52790
N'-[(2-methoxy-1-naphthyl)methylene]-4-biphenylcarbohydrazide
CID 5332319
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenoxybenzamide
CID 44263380
2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
2-{2-Methoxy-4-[2-(1-naphthoyl)carbohydrazonoyl]phenoxy}acetamide
CID 9563859
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]naphthalene-1-carbohydrazide
CID 135489946
4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one
CID 749966
3-fluoro-N'-(6-methoxy-7-methyl-3,4-dihydro-1(2H)-naphthalenylidene)benzohydrazide
CID 5337426

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 6874153) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is HOBRIIGSRXYULO-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-18-12-6-9-15(19(18)25-2)13-21-22-20(23)17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,1-2H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 6874153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).