2-cyano-N-(1-cyclohexylpropyl)acetamide

C12H20N2O — CID 62405971

IUPAC2-cyano-N-(1-cyclohexylpropyl)acetamide
SMILESCCC(NC(=O)CC#N)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-2-11(14-12(15)8-9-13)10-6-4-3-5-7-10/h10-11H,2-8H2,1H3,(H,14,15)
InChIKeyVQVQEUXDRBDUCM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.38
Rot. Bonds4

About 2-cyano-N-(1-cyclohexylpropyl)acetamide

2-cyano-N-(1-cyclohexylpropyl)acetamide (PubChem CID 62405971) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyano-N-(1-cyclohexylpropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-cyclohexylpropyl)acetamide
PubChem CID62405971
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-cyano-N-(1-cyclohexylpropyl)acetamide
SMILESCCC(NC(=O)CC#N)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-2-11(14-12(15)8-9-13)10-6-4-3-5-7-10/h10-11H,2-8H2,1H3,(H,14,15)
InChIKeyVQVQEUXDRBDUCM-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
CID 62406161
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
N-(1-cyclohexylpropyl)acetamide
CID 45119320
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-(1-cyclobutylpropyl)acetamide
CID 127002620
2-cyano-N-cyclopentylacetamide
CID 5093205
1-cyclohexylpropylthiourea
CID 62407553
N-(1-cyclohexylpropyl)-2-(ethylamino)-2-methylpropanamide
CID 62834265
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-cyclohexylpropyl)acetamide?
The IUPAC name of 2-cyano-N-(1-cyclohexylpropyl)acetamide (CID 62405971) is 2-cyano-N-(1-cyclohexylpropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-cyclohexylpropyl)acetamide?
The canonical SMILES for 2-cyano-N-(1-cyclohexylpropyl)acetamide is CCC(NC(=O)CC#N)C1CCCCC1.
What is the InChIKey of 2-cyano-N-(1-cyclohexylpropyl)acetamide?
The InChIKey is VQVQEUXDRBDUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-11(14-12(15)8-9-13)10-6-4-3-5-7-10/h10-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(1-cyclohexylpropyl)acetamide?
2-cyano-N-(1-cyclohexylpropyl)acetamide has a molecular weight of 208.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-cyclohexylpropyl)acetamide is sourced from PubChem (CID 62405971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).