2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide

C14H19N3O — CID 64536746

IUPAC2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(C#N)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(10-14(16)18)9-13(8-15)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H2,16,18)
InChIKeyYJBBBUJUVFZHQJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.49
Rot. Bonds6

About 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide

2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide (PubChem CID 64536746) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
PubChem CID64536746
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(C#N)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(10-14(16)18)9-13(8-15)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H2,16,18)
InChIKeyYJBBBUJUVFZHQJ-UHFFFAOYSA-N
XLogP1.49
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362
1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one
CID 70849636
2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
CID 8559770
2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 94413285
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
3-cyano-3-phenyl-N,N-di(propan-2-yl)propanamide;3-cyano-3-phenylpropanoic acid
CID 159488647
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
CID 66657977
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide (CID 64536746) is 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(C#N)c1ccccc1.
What is the InChIKey of 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide?
The InChIKey is YJBBBUJUVFZHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17(10-14(16)18)9-13(8-15)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide?
2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 64536746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).