N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide

C12H20N2O — CID 62089580

IUPACN-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
SMILESCC(CC#N)NC(=O)CC1CCCCC1
InChIInChI=1S/C12H20N2O/c1-10(7-8-13)14-12(15)9-11-5-3-2-4-6-11/h10-11H,2-7,9H2,1H3,(H,14,15)
InChIKeyUFZCEZLBVMIYLO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.38
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide

N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide (PubChem CID 62089580) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
PubChem CID62089580
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
SMILESCC(CC#N)NC(=O)CC1CCCCC1
InChIInChI=1S/C12H20N2O/c1-10(7-8-13)14-12(15)9-11-5-3-2-4-6-11/h10-11H,2-7,9H2,1H3,(H,14,15)
InChIKeyUFZCEZLBVMIYLO-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-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
CID 80995980
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide (CID 62089580) is N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide is CC(CC#N)NC(=O)CC1CCCCC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide?
The InChIKey is UFZCEZLBVMIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(7-8-13)14-12(15)9-11-5-3-2-4-6-11/h10-11H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide?
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide 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 N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 62089580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).