N-[4-(3-cyanopropanoyl)phenyl]acetamide

C12H12N2O2 — CID 2807363

IUPACN-[4-(3-cyanopropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCC#N)cc1
InChIInChI=1S/C12H12N2O2/c1-9(15)14-11-6-4-10(5-7-11)12(16)3-2-8-13/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyQLZMFJUINFRZMG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds4

About N-[4-(3-cyanopropanoyl)phenyl]acetamide

N-[4-(3-cyanopropanoyl)phenyl]acetamide (PubChem CID 2807363) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[4-(3-cyanopropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-cyanopropanoyl)phenyl]acetamide
PubChem CID2807363
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-[4-(3-cyanopropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCC#N)cc1
InChIInChI=1S/C12H12N2O2/c1-9(15)14-11-6-4-10(5-7-11)12(16)3-2-8-13/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyQLZMFJUINFRZMG-UHFFFAOYSA-N
XLogP2.13
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
cyanomethyl 4-acetamidobenzoate
CID 2397740
N-(4-nonanoylphenyl)acetamide
CID 65449309
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
methyl 4-(3-cyanopropanoylamino)benzoate
CID 94261035
[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium
CID 58053073
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
4-oxo-4-(4-propan-2-ylsulfonylphenyl)butanenitrile
CID 116862111
5-(4-acetamidophenyl)-5-oxopentanoic acid;5-(4-aminophenyl)-5-oxopentanoic acid
CID 158553917
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654148
3-[4-(methylamino)phenyl]-3-oxopropanenitrile
CID 156767557

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanopropanoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-cyanopropanoyl)phenyl]acetamide (CID 2807363) is N-[4-(3-cyanopropanoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-cyanopropanoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-cyanopropanoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CCC#N)cc1.
What is the InChIKey of N-[4-(3-cyanopropanoyl)phenyl]acetamide?
The InChIKey is QLZMFJUINFRZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(15)14-11-6-4-10(5-7-11)12(16)3-2-8-13/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of N-[4-(3-cyanopropanoyl)phenyl]acetamide?
N-[4-(3-cyanopropanoyl)phenyl]acetamide has a molecular weight of 216.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanopropanoyl)phenyl]acetamide is sourced from PubChem (CID 2807363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).