2-cyano-N-methyl-N-(4-propylphenyl)acetamide

C13H16N2O — CID 115172956

IUPAC2-cyano-N-methyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(N(C)C(=O)CC#N)cc1
InChIInChI=1S/C13H16N2O/c1-3-4-11-5-7-12(8-6-11)15(2)13(16)9-10-14/h5-8H,3-4,9H2,1-2H3
InChIKeyWWMJRGNQMBOYID-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds4

About 2-cyano-N-methyl-N-(4-propylphenyl)acetamide

2-cyano-N-methyl-N-(4-propylphenyl)acetamide (PubChem CID 115172956) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(4-propylphenyl)acetamide
PubChem CID115172956
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-methyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(N(C)C(=O)CC#N)cc1
InChIInChI=1S/C13H16N2O/c1-3-4-11-5-7-12(8-6-11)15(2)13(16)9-10-14/h5-8H,3-4,9H2,1-2H3
InChIKeyWWMJRGNQMBOYID-UHFFFAOYSA-N
XLogP2.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-(4-propylphenyl)carbamic acid
CID 115170704
2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 115173017
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
4-[methyl-[(4-propylphenyl)methyl]amino]-3-oxobutanenitrile
CID 117038455
4-[methyl-[2-(4-propylphenyl)ethyl]amino]-3-oxobutanenitrile
CID 117038559
2-cyano-N-methyl-N-(4-phenylmethoxyphenyl)acetamide
CID 99824506
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
3-[4-[butanoyl(methyl)amino]phenyl]propanoic acid
CID 28759950
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N,N-bis(cyanomethyl)-4-propylbenzamide
CID 52832525
3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 115161397
N-methyl-N-(4-propylphenyl)piperazine-1-carboxamide
CID 115171520

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-cyano-N-methyl-N-(4-propylphenyl)acetamide (CID 115172956) is 2-cyano-N-methyl-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-methyl-N-(4-propylphenyl)acetamide is CCCc1ccc(N(C)C(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-methyl-N-(4-propylphenyl)acetamide?
The InChIKey is WWMJRGNQMBOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-11-5-7-12(8-6-11)15(2)13(16)9-10-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-(4-propylphenyl)acetamide?
2-cyano-N-methyl-N-(4-propylphenyl)acetamide has a molecular weight of 216.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 115172956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).