2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide

C14H19N3O — CID 106312349

IUPAC2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(CC#N)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H19N3O/c1-3-12(8-9-15)17-14(18)13(16)11-6-4-10(2)5-7-11/h4-7,12-13H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyJRFYCVVFMMXMKO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 106312349) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID106312349
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(CC#N)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H19N3O/c1-3-12(8-9-15)17-14(18)13(16)11-6-4-10(2)5-7-11/h4-7,12-13H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyJRFYCVVFMMXMKO-UHFFFAOYSA-N
XLogP1.80
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 106312729
2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide
CID 106312995
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
(2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]hexanoic acid
CID 106312836
N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 106312699
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide (CID 106312349) is 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide is CCC(CC#N)NC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is JRFYCVVFMMXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-12(8-9-15)17-14(18)13(16)11-6-4-10(2)5-7-11/h4-7,12-13H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).