N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide

C22H18N2O2 — CID 27163510

IUPACN-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide
SMILESN#CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-14-13-16-5-9-20(10-6-16)24-22(26)12-11-21(25)19-8-7-17-3-1-2-4-18(17)15-19/h1-10,15H,11-13H2,(H,24,26)
InChIKeyUFUZAPHCZBGRAG-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.51
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide

N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 27163510) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID27163510
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide
SMILESN#CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-14-13-16-5-9-20(10-6-16)24-22(26)12-11-21(25)19-8-7-17-3-1-2-4-18(17)15-19/h1-10,15H,11-13H2,(H,24,26)
InChIKeyUFUZAPHCZBGRAG-UHFFFAOYSA-N
XLogP4.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
CID 1279971
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
5-bromo-N-[4-(cyanomethyl)phenyl]pentanamide
CID 107908863
N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9077002
2-cyano-N-(4-naphthalen-2-ylphenyl)acetamide
CID 168520254
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
N-hydroxy-4-(3-naphthalen-2-ylpropanoylamino)benzamide
CID 173044291
(2-naphthalen-2-yl-2-oxoethyl) 4-(4-nitroanilino)-4-oxobutanoate
CID 2935824

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide (CID 27163510) is N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide is N#CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is UFUZAPHCZBGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-14-13-16-5-9-20(10-6-16)24-22(26)12-11-21(25)19-8-7-17-3-1-2-4-18(17)15-19/h1-10,15H,11-13H2,(H,24,26).
What are the key properties of N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide?
N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 342.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 27163510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).