N-(cyanomethyl)-2-methyl-N-phenylpropanamide

C12H14N2O — CID 82126045

IUPACN-(cyanomethyl)-2-methyl-N-phenylpropanamide
SMILESCC(C)C(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(2)12(15)14(9-8-13)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3
InChIKeyIQHVYXDQZHZMHW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.20
Rot. Bonds3

About N-(cyanomethyl)-2-methyl-N-phenylpropanamide

N-(cyanomethyl)-2-methyl-N-phenylpropanamide (PubChem CID 82126045) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methyl-N-phenylpropanamide
PubChem CID82126045
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(cyanomethyl)-2-methyl-N-phenylpropanamide
SMILESCC(C)C(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(2)12(15)14(9-8-13)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3
InChIKeyIQHVYXDQZHZMHW-UHFFFAOYSA-N
XLogP2.20
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
(2R)-2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 83194262
N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
CID 104554133
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
(2S)-N-(cyanomethyl)-2-cyclopentyloxy-N-phenylbutanamide
CID 97095287
2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81230784
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
3-[N-(cyanomethyl)anilino]-2-methylpropanoic acid
CID 82318541
N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 82134140
N-(cyanomethyl)-3,4-dimethyl-N-phenylbenzamide
CID 82133612
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
2-methyl-N-(2-phenoxyethyl)-N-phenylpropanamide
CID 141139388

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methyl-N-phenylpropanamide?
The IUPAC name of N-(cyanomethyl)-2-methyl-N-phenylpropanamide (CID 82126045) is N-(cyanomethyl)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-2-methyl-N-phenylpropanamide?
The canonical SMILES for N-(cyanomethyl)-2-methyl-N-phenylpropanamide is CC(C)C(=O)N(CC#N)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-methyl-N-phenylpropanamide?
The InChIKey is IQHVYXDQZHZMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(2)12(15)14(9-8-13)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3.
What are the key properties of N-(cyanomethyl)-2-methyl-N-phenylpropanamide?
N-(cyanomethyl)-2-methyl-N-phenylpropanamide has a molecular weight of 202.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 82126045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).