N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide

C27H22N2O2 — CID 3255207

IUPACN-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NN=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2O2/c30-27(20-31-26-17-9-15-22-12-7-8-16-24(22)26)29-28-25(23-13-5-2-6-14-23)19-18-21-10-3-1-4-11-21/h1-19H,20H2,(H,29,30)
InChIKeyJULPSFUYZMGQDK-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.45
Rot. Bonds7

About N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide

N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide (PubChem CID 3255207) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide
PubChem CID3255207
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC NameN-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NN=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2O2/c30-27(20-31-26-17-9-15-22-12-7-8-16-24(22)26)29-28-25(23-13-5-2-6-14-23)19-18-21-10-3-1-4-11-21/h1-19H,20H2,(H,29,30)
InChIKeyJULPSFUYZMGQDK-UHFFFAOYSA-N
XLogP5.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.45
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

2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide
CID 4635210
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
CID 6514335
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide (CID 3255207) is N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NN=C(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide?
The InChIKey is JULPSFUYZMGQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-27(20-31-26-17-9-15-22-12-7-8-16-24(22)26)29-28-25(23-13-5-2-6-14-23)19-18-21-10-3-1-4-11-21/h1-19H,20H2,(H,29,30).
What are the key properties of N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide?
N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide has a molecular weight of 406.49 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3255207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).