N-octyl-2-pyrrolidin-2-ylacetamide

C14H28N2O — CID 115567860

IUPACN-octyl-2-pyrrolidin-2-ylacetamide
SMILESCCCCCCCCNC(=O)CC1CCCN1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-10-16-14(17)12-13-9-8-11-15-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyNUVICNWKBUIAEI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.61
Rot. Bonds9

About N-octyl-2-pyrrolidin-2-ylacetamide

N-octyl-2-pyrrolidin-2-ylacetamide (PubChem CID 115567860) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-octyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-octyl-2-pyrrolidin-2-ylacetamide
PubChem CID115567860
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-octyl-2-pyrrolidin-2-ylacetamide
SMILESCCCCCCCCNC(=O)CC1CCCN1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-10-16-14(17)12-13-9-8-11-15-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyNUVICNWKBUIAEI-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
CID 119902055
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119728947
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
2-morpholin-3-yl-N-octylacetamide
CID 113337235
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-octyl-2-pyrrolidin-2-ylacetamide (CID 115567860) is N-octyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-octyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-octyl-2-pyrrolidin-2-ylacetamide is CCCCCCCCNC(=O)CC1CCCN1.
What is the InChIKey of N-octyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is NUVICNWKBUIAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-10-16-14(17)12-13-9-8-11-15-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of N-octyl-2-pyrrolidin-2-ylacetamide?
N-octyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 240.39 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 115567860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).