2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide

C25H26N2O2 — CID 172671224

IUPAC2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(-c2ccc(C(C)(C)C#N)cc2)c2ccccc2c1
InChIInChI=1S/C25H26N2O2/c1-5-27(4)24(28)16-29-21-14-19-8-6-7-9-22(19)23(15-21)18-10-12-20(13-11-18)25(2,3)17-26/h6-15H,5,16H2,1-4H3
InChIKeyWTTOKZQLUZPJJU-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.17
Rot. Bonds6

About 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide

2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide (PubChem CID 172671224) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide
PubChem CID172671224
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(-c2ccc(C(C)(C)C#N)cc2)c2ccccc2c1
InChIInChI=1S/C25H26N2O2/c1-5-27(4)24(28)16-29-21-14-19-8-6-7-9-22(19)23(15-21)18-10-12-20(13-11-18)25(2,3)17-26/h6-15H,5,16H2,1-4H3
InChIKeyWTTOKZQLUZPJJU-UHFFFAOYSA-N
XLogP5.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-dimethyl-4-pyridinyl)naphthalen-2-yl]oxy-N-methyl-N-propan-2-ylacetamide
CID 175640813
N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 43505701
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
2-[4-(3-chloro-4-methoxyphenyl)naphthalen-2-yl]oxyacetamide
CID 175642212
2-[4-(5-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 176500625
2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
CID 177379160
N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 172673341
2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide
CID 172658991
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide (CID 172671224) is 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1cc(-c2ccc(C(C)(C)C#N)cc2)c2ccccc2c1.
What is the InChIKey of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide?
The InChIKey is WTTOKZQLUZPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-5-27(4)24(28)16-29-21-14-19-8-6-7-9-22(19)23(15-21)18-10-12-20(13-11-18)25(2,3)17-26/h6-15H,5,16H2,1-4H3.
What are the key properties of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide?
2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide has a molecular weight of 386.50 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-cyanopropan-2-yl)phenyl]naphthalen-2-yl]oxy-N-ethyl-N-methylacetamide is sourced from PubChem (CID 172671224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).