N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide

C12H20N2O — CID 61381682

IUPACN-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
SMILESCCCN(CC#N)C(=O)CC1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-8-14(9-7-13)12(15)10-11-5-3-4-6-11/h11H,2-6,8-10H2,1H3
InChIKeyPDHBBYPZXONZHF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds5

About N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide

N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide (PubChem CID 61381682) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
PubChem CID61381682
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
SMILESCCCN(CC#N)C(=O)CC1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-8-14(9-7-13)12(15)10-11-5-3-4-6-11/h11H,2-6,8-10H2,1H3
InChIKeyPDHBBYPZXONZHF-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
CID 61224500
N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
N-(cyanomethyl)-3-cyclopentylsulfonyl-N-propylpropanamide
CID 60560181
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
CID 103163676
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
CID 107178551
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
CID 62675226
2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625612

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide?
The IUPAC name of N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide (CID 61381682) is N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide is CCCN(CC#N)C(=O)CC1CCCC1.
What is the InChIKey of N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide?
The InChIKey is PDHBBYPZXONZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-8-14(9-7-13)12(15)10-11-5-3-4-6-11/h11H,2-6,8-10H2,1H3.
What are the key properties of N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide?
N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide has a molecular weight of 208.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide is sourced from PubChem (CID 61381682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).