N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide

C15H20N2O — CID 102158521

IUPACN-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)[C@H](C#N)C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-12(18)17(14(10-16)15(2,3)4)11-13-8-6-5-7-9-13/h5-9,14H,11H2,1-4H3/t14-/m1/s1
InChIKeyQOFKVMNKXYWQJG-CQSZACIVSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds3

About N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide

N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide (PubChem CID 102158521) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
PubChem CID102158521
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)[C@H](C#N)C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-12(18)17(14(10-16)15(2,3)4)11-13-8-6-5-7-9-13/h5-9,14H,11H2,1-4H3/t14-/m1/s1
InChIKeyQOFKVMNKXYWQJG-CQSZACIVSA-N
XLogP2.97
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
N-benzyl-N-(1-cyano-2-methylpropyl)-2,2,2-trifluoroacetamide
CID 101197575
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
benzyl-[(2S)-1-cyano-1-hydroxypropan-2-yl]carbamic acid
CID 87121485
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
N-benzyl-N-[(2R,3R)-4-bromo-1,1,1-trifluoro-3-hydroxybutan-2-yl]acetamide
CID 11291164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide?
The IUPAC name of N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide (CID 102158521) is N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide?
The canonical SMILES for N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide is CC(=O)N(Cc1ccccc1)[C@H](C#N)C(C)(C)C.
What is the InChIKey of N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide?
The InChIKey is QOFKVMNKXYWQJG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(18)17(14(10-16)15(2,3)4)11-13-8-6-5-7-9-13/h5-9,14H,11H2,1-4H3/t14-/m1/s1.
What are the key properties of N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide?
N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 102158521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).