N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide

C14H24N2O — CID 61224500

IUPACN-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
SMILESCCCN(CC#N)C(=O)CCC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-11-16(12-10-15)14(17)9-8-13-6-4-3-5-7-13/h13H,2-9,11-12H2,1H3
InChIKeyZBDWOGXHSMRSFC-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.11
Rot. Bonds6

About N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide

N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide (PubChem CID 61224500) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
PubChem CID61224500
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
SMILESCCCN(CC#N)C(=O)CCC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-11-16(12-10-15)14(17)9-8-13-6-4-3-5-7-13/h13H,2-9,11-12H2,1H3
InChIKeyZBDWOGXHSMRSFC-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
CID 61381682
N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide
CID 114208844
N-(cyanomethyl)-3-cyclopentylsulfonyl-N-propylpropanamide
CID 60560181
N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
CID 78970322
ethyl 4-[cyanomethyl(propyl)amino]-4-oxobutanoate
CID 21474642
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide?
The IUPAC name of N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide (CID 61224500) is N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide?
The canonical SMILES for N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide is CCCN(CC#N)C(=O)CCC1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide?
The InChIKey is ZBDWOGXHSMRSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-11-16(12-10-15)14(17)9-8-13-6-4-3-5-7-13/h13H,2-9,11-12H2,1H3.
What are the key properties of N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide?
N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide has a molecular weight of 236.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide is sourced from PubChem (CID 61224500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).