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

C25H24N2O3 — CID 5191870

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCc2ccccc21
InChIInChI=1S/C25H24N2O3/c28-25(27-26-24-12-6-10-20-9-4-5-11-23(20)24)18-30-22-15-13-21(14-16-22)29-17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16H,6,10,12,17-18H2,(H,27,28)
InChIKeySEGJGDJVVDUQSF-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.50
Rot. Bonds7

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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 5191870) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID5191870
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCc2ccccc21
InChIInChI=1S/C25H24N2O3/c28-25(27-26-24-12-6-10-20-9-4-5-11-23(20)24)18-30-22-15-13-21(14-16-22)29-17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16H,6,10,12,17-18H2,(H,27,28)
InChIKeySEGJGDJVVDUQSF-UHFFFAOYSA-N
XLogP4.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.50
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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 162738460
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
2-(4-bromo-2-chlorophenoxy)-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)acetamide
CID 4632205
2-(4-bromo-2-methylphenoxy)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6117426
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (CID 5191870) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is SEGJGDJVVDUQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-25(27-26-24-12-6-10-20-9-4-5-11-23(20)24)18-30-22-15-13-21(14-16-22)29-17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16H,6,10,12,17-18H2,(H,27,28).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 5191870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).