N-octyl-2-propylpyrrolidine-2-carboxamide

C16H32N2O — CID 106975640

IUPACN-octyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1(CCC)CCCN1
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-13-17-15(19)16(11-4-2)12-10-14-18-16/h18H,3-14H2,1-2H3,(H,17,19)
InChIKeyOILFLVGUAQNHLB-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.39
Rot. Bonds10

About N-octyl-2-propylpyrrolidine-2-carboxamide

N-octyl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975640) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-octyl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-octyl-2-propylpyrrolidine-2-carboxamide
PubChem CID106975640
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-octyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1(CCC)CCCN1
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-13-17-15(19)16(11-4-2)12-10-14-18-16/h18H,3-14H2,1-2H3,(H,17,19)
InChIKeyOILFLVGUAQNHLB-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.39
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-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975806
N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
CID 106011154
1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
N-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxamide
CID 106975460
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975355
4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 106975362
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
N-(2-oxo-2-piperidin-1-ylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106975739
N-(5-hydroxy-2,2-dimethylpentyl)-2-propylpyrrolidine-2-carboxamide
CID 106148123
N-[2-(cyclopropylamino)-2-oxoethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974234
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975529

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-octyl-2-propylpyrrolidine-2-carboxamide (CID 106975640) is N-octyl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-octyl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-octyl-2-propylpyrrolidine-2-carboxamide is CCCCCCCCNC(=O)C1(CCC)CCCN1.
What is the InChIKey of N-octyl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is OILFLVGUAQNHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-6-7-8-9-13-17-15(19)16(11-4-2)12-10-14-18-16/h18H,3-14H2,1-2H3,(H,17,19).
What are the key properties of N-octyl-2-propylpyrrolidine-2-carboxamide?
N-octyl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).