N-(1-cyanopropan-2-yl)-2-phenylacetamide

C12H14N2O — CID 55211217

IUPACN-(1-cyanopropan-2-yl)-2-phenylacetamide
SMILESCC(CC#N)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(7-8-13)14-12(15)9-11-5-3-2-4-6-11/h2-6,10H,7,9H2,1H3,(H,14,15)
InChIKeyVSYWHXIOGSVQNP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.65
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-2-phenylacetamide

N-(1-cyanopropan-2-yl)-2-phenylacetamide (PubChem CID 55211217) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-phenylacetamide
PubChem CID55211217
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(1-cyanopropan-2-yl)-2-phenylacetamide
SMILESCC(CC#N)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(7-8-13)14-12(15)9-11-5-3-2-4-6-11/h2-6,10H,7,9H2,1H3,(H,14,15)
InChIKeyVSYWHXIOGSVQNP-UHFFFAOYSA-N
XLogP1.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
CID 78991804
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
cyanomethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 42903357
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-phenylacetamide (CID 55211217) is N-(1-cyanopropan-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-phenylacetamide is CC(CC#N)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-phenylacetamide?
The InChIKey is VSYWHXIOGSVQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(7-8-13)14-12(15)9-11-5-3-2-4-6-11/h2-6,10H,7,9H2,1H3,(H,14,15).
What are the key properties of N-(1-cyanopropan-2-yl)-2-phenylacetamide?
N-(1-cyanopropan-2-yl)-2-phenylacetamide has a molecular weight of 202.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 55211217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).