2-amino-2-phenylacetamide;pentanenitrile

C13H19N3O — CID 174503013

IUPAC2-amino-2-phenylacetamide;pentanenitrile
SMILESCCCCC#N.NC(=O)C(N)c1ccccc1
InChIInChI=1S/C8H10N2O.C5H9N/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5,7H,9H2,(H2,10,11);2-4H2,1H3
InChIKeyZUMIWOCOQOITKY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-2-phenylacetamide;pentanenitrile

2-amino-2-phenylacetamide;pentanenitrile (PubChem CID 174503013) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-2-phenylacetamide;pentanenitrile.

Molecular Properties

Compound Name2-amino-2-phenylacetamide;pentanenitrile
PubChem CID174503013
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-2-phenylacetamide;pentanenitrile
SMILESCCCCC#N.NC(=O)C(N)c1ccccc1
InChIInChI=1S/C8H10N2O.C5H9N/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5,7H,9H2,(H2,10,11);2-4H2,1H3
InChIKeyZUMIWOCOQOITKY-UHFFFAOYSA-N
XLogP1.87
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
1,1'-biphenyl;pentanenitrile
CID 161141924
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
1-amino-1-phenylheptan-2-one
CID 116551276
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
pentanenitrile;toluene
CID 158377987
ethyl (2S)-4-cyano-2-phenylbutanoate
CID 95479648
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-phenylheptanamide
CID 67221214

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylacetamide;pentanenitrile?
The IUPAC name of 2-amino-2-phenylacetamide;pentanenitrile (CID 174503013) is 2-amino-2-phenylacetamide;pentanenitrile.
What is the SMILES notation for 2-amino-2-phenylacetamide;pentanenitrile?
The canonical SMILES for 2-amino-2-phenylacetamide;pentanenitrile is CCCCC#N.NC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylacetamide;pentanenitrile?
The InChIKey is ZUMIWOCOQOITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C5H9N/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5,7H,9H2,(H2,10,11);2-4H2,1H3.
What are the key properties of 2-amino-2-phenylacetamide;pentanenitrile?
2-amino-2-phenylacetamide;pentanenitrile has a molecular weight of 233.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylacetamide;pentanenitrile is sourced from PubChem (CID 174503013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).