2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide

C23H22N2O2 — CID 172658991

IUPAC2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(-c2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C23H22N2O2/c1-3-25(4-2)23(26)16-27-22-14-13-19(20-7-5-6-8-21(20)22)18-11-9-17(15-24)10-12-18/h5-14H,3-4,16H2,1-2H3
InChIKeyHUYSRGQNUHGOHU-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.63
Rot. Bonds6

About 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide

2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide (PubChem CID 172658991) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide
PubChem CID172658991
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(-c2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C23H22N2O2/c1-3-25(4-2)23(26)16-27-22-14-13-19(20-7-5-6-8-21(20)22)18-11-9-17(15-24)10-12-18/h5-14H,3-4,16H2,1-2H3
InChIKeyHUYSRGQNUHGOHU-UHFFFAOYSA-N
XLogP4.63
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide (CID 172658991) is 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(-c2ccc(C#N)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide?
The InChIKey is HUYSRGQNUHGOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-25(4-2)23(26)16-27-22-14-13-19(20-7-5-6-8-21(20)22)18-11-9-17(15-24)10-12-18/h5-14H,3-4,16H2,1-2H3.
What are the key properties of 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide?
2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide has a molecular weight of 358.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide is sourced from PubChem (CID 172658991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).