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

C21H24N2O2 — CID 922588

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=C1CCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-15(2)17-10-5-6-13-20(17)25-14-21(24)23-22-19-12-7-9-16-8-3-4-11-18(16)19/h3-6,8,10-11,13,15H,7,9,12,14H2,1-2H3,(H,23,24)
InChIKeyYECZPXJXJIBCOP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.05
Rot. Bonds5

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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 922588) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID922588
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=C1CCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-15(2)17-10-5-6-13-20(17)25-14-21(24)23-22-19-12-7-9-16-8-3-4-11-18(16)19/h3-6,8,10-11,13,15H,7,9,12,14H2,1-2H3,(H,23,24)
InChIKeyYECZPXJXJIBCOP-UHFFFAOYSA-N
XLogP4.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.05
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-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
2-(4-bromo-2-methylphenoxy)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6117426
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
2-(4-bromo-2-chlorophenoxy)-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)acetamide
CID 4632205
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
CID 4097852

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide (CID 922588) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN=C1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is YECZPXJXJIBCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)17-10-5-6-13-20(17)25-14-21(24)23-22-19-12-7-9-16-8-3-4-11-18(16)19/h3-6,8,10-11,13,15H,7,9,12,14H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 336.44 g/mol, XLogP of 4.05, 5 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-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).