2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide

C13H17N3O — CID 8559770

IUPAC2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-10(2)16(9-13(15)17)8-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H2,15,17)
InChIKeyKVJJOSBUSRPOAV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.25
Rot. Bonds5

About 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide

2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 8559770) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
PubChem CID8559770
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-10(2)16(9-13(15)17)8-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H2,15,17)
InChIKeyKVJJOSBUSRPOAV-UHFFFAOYSA-N
XLogP1.25
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide
CID 18150302
2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144410
(2S)-2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 66568262
2-[[(4-cyanophenyl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 86866924
2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
CID 112553358
2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
CID 43274527
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
CID 64536746
3-[carboxymethyl-[(2-cyanophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327942
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
CID 82978366
3-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]-4-fluorobenzoic acid
CID 107452238

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide (CID 8559770) is 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is KVJJOSBUSRPOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)16(9-13(15)17)8-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide?
2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 8559770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).