3-ethyl-N-octylpyrrolidine-3-carboxamide

C15H30N2O — CID 115567862

IUPAC3-ethyl-N-octylpyrrolidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1(CC)CCNC1
InChIInChI=1S/C15H30N2O/c1-3-5-6-7-8-9-11-17-14(18)15(4-2)10-12-16-13-15/h16H,3-13H2,1-2H3,(H,17,18)
InChIKeyWIEGHADBDLKHEQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds9

About 3-ethyl-N-octylpyrrolidine-3-carboxamide

3-ethyl-N-octylpyrrolidine-3-carboxamide (PubChem CID 115567862) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethyl-N-octylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-octylpyrrolidine-3-carboxamide
PubChem CID115567862
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethyl-N-octylpyrrolidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1(CC)CCNC1
InChIInChI=1S/C15H30N2O/c1-3-5-6-7-8-9-11-17-14(18)15(4-2)10-12-16-13-15/h16H,3-13H2,1-2H3,(H,17,18)
InChIKeyWIEGHADBDLKHEQ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.85
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

3,3-Diethyl-2-pyrrolidinone
CID 9793807
3-Ethyl-3-methylpyrrolidin-2-one
CID 21634101
3-Tert-butyl-3-methylpyrrolidin-2-one
CID 10511091
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
2-(Aminomethyl)-1-(3,3-dimethylpyrrolidin-1-yl)-2-ethylbutan-1-one
CID 75482276
N-[4-(2-azaspiro[4.6]undec-2-yl)-4-oxobutyl]acetamide
CID 129616263
(3S)-N-decyl-3-fluoropyrrolidine-3-carboxamide
CID 150951784
2,2-dimethyl-N-octylbutanamide
CID 132103789
N-methyl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55164565
N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55166695
3-propyl-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 55174368

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-octylpyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-octylpyrrolidine-3-carboxamide (CID 115567862) is 3-ethyl-N-octylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-octylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-octylpyrrolidine-3-carboxamide is CCCCCCCCNC(=O)C1(CC)CCNC1.
What is the InChIKey of 3-ethyl-N-octylpyrrolidine-3-carboxamide?
The InChIKey is WIEGHADBDLKHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-6-7-8-9-11-17-14(18)15(4-2)10-12-16-13-15/h16H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-N-octylpyrrolidine-3-carboxamide?
3-ethyl-N-octylpyrrolidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-octylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115567862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).