2-cyano-N-[(2R)-hexan-2-yl]acetamide

C9H16N2O — CID 94372249

IUPAC2-cyano-N-[(2R)-hexan-2-yl]acetamide
SMILESCCCC[C@@H](C)NC(=O)CC#N
InChIInChI=1S/C9H16N2O/c1-3-4-5-8(2)11-9(12)6-7-10/h8H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyCRSFOJMQZVXDTE-MRVPVSSYSA-N
MW168.24 g/mol
LogP1.59
Rot. Bonds5

About 2-cyano-N-[(2R)-hexan-2-yl]acetamide

2-cyano-N-[(2R)-hexan-2-yl]acetamide (PubChem CID 94372249) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyano-N-[(2R)-hexan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2R)-hexan-2-yl]acetamide
PubChem CID94372249
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-cyano-N-[(2R)-hexan-2-yl]acetamide
SMILESCCCC[C@@H](C)NC(=O)CC#N
InChIInChI=1S/C9H16N2O/c1-3-4-5-8(2)11-9(12)6-7-10/h8H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyCRSFOJMQZVXDTE-MRVPVSSYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-ylbutanamide
CID 64592038
2-cyano-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 104696948
2-cyano-N-hexan-2-ylbutanamide
CID 62199313
2-cyano-N-(1-methoxypropan-2-yl)acetamide
CID 3371821
tert-butyl N-[4-[(2-cyanoacetyl)amino]pentyl]carbamate
CID 126816987
2-cyano-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64641675
N-dodecan-2-ylpropanamide
CID 174988669
N-hexan-2-yl-2-methoxyacetamide
CID 64592486
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041
N-hexan-2-ylacetamide;methane
CID 161054772
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
N-but-3-yn-2-yl-2-cyanoacetamide
CID 114417353

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2R)-hexan-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[(2R)-hexan-2-yl]acetamide (CID 94372249) is 2-cyano-N-[(2R)-hexan-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[(2R)-hexan-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[(2R)-hexan-2-yl]acetamide is CCCC[C@@H](C)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(2R)-hexan-2-yl]acetamide?
The InChIKey is CRSFOJMQZVXDTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-8(2)11-9(12)6-7-10/h8H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 2-cyano-N-[(2R)-hexan-2-yl]acetamide?
2-cyano-N-[(2R)-hexan-2-yl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2R)-hexan-2-yl]acetamide is sourced from PubChem (CID 94372249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).