N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide

C19H20N2O2 — CID 968541

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=C2CCCc3ccccc32)c1
InChIInChI=1S/C19H20N2O2/c1-14-6-4-9-16(12-14)23-13-19(22)21-20-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22)
InChIKeyQWWFJJHLCKJCNW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.23
Rot. Bonds4

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide (PubChem CID 968541) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
PubChem CID968541
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=C2CCCc3ccccc32)c1
InChIInChI=1S/C19H20N2O2/c1-14-6-4-9-16(12-14)23-13-19(22)21-20-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22)
InChIKeyQWWFJJHLCKJCNW-UHFFFAOYSA-N
XLogP3.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.23
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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
CID 90481723
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
2-(4-bromo-2-methylphenoxy)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6117426
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
2-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
2-(3-methylphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6910967
2-(4-bromo-2-chlorophenoxy)-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)acetamide
CID 4632205
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide (CID 968541) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NN=C2CCCc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide?
The InChIKey is QWWFJJHLCKJCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-6-4-9-16(12-14)23-13-19(22)21-20-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 968541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).