N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide

C22H22N2O3 — CID 143910203

IUPACN-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)c2cccc3ccccc23)cc1OCC
InChIInChI=1S/C22H22N2O3/c1-3-26-19-13-12-16(14-20(19)27-4-2)22(25)24-21(23)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,3-4H2,1-2H3,(H2,23,24,25)
InChIKeyVCFGWCCOMJHUPY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.18
Rot. Bonds6

About N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide

N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide (PubChem CID 143910203) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide
PubChem CID143910203
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)c2cccc3ccccc23)cc1OCC
InChIInChI=1S/C22H22N2O3/c1-3-26-19-13-12-16(14-20(19)27-4-2)22(25)24-21(23)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,3-4H2,1-2H3,(H2,23,24,25)
InChIKeyVCFGWCCOMJHUPY-UHFFFAOYSA-N
XLogP4.18
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide
CID 143910159
(2-bromo-4-carbamoyl-6-ethoxyphenyl) naphthalene-1-carboxylate
CID 91689864
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
CID 143910002
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
3,4-diethoxybenzoyl azide
CID 43307138
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
bis(3,4-diethoxyphenyl)methanone
CID 135325793
N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide
CID 143910263
ethyl 3,4-diethoxybenzoate
CID 586407
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838

Frequently Asked Questions

What is the IUPAC name of N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide?
The IUPAC name of N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide (CID 143910203) is N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide?
The canonical SMILES for N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)/N=C(\N)c2cccc3ccccc23)cc1OCC.
What is the InChIKey of N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide?
The InChIKey is VCFGWCCOMJHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-26-19-13-12-16(14-20(19)27-4-2)22(25)24-21(23)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,3-4H2,1-2H3,(H2,23,24,25).
What are the key properties of N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide?
N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide is sourced from PubChem (CID 143910203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).