N-octan-2-ylpyrrolidine-1-carboxamide

C13H26N2O — CID 56808053

IUPACN-octan-2-ylpyrrolidine-1-carboxamide
SMILESCCCCCCC(C)NC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-9-12(2)14-13(16)15-10-7-8-11-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyKWVJUQDEDSNTKF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.15
Rot. Bonds6

About N-octan-2-ylpyrrolidine-1-carboxamide

N-octan-2-ylpyrrolidine-1-carboxamide (PubChem CID 56808053) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-octan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-octan-2-ylpyrrolidine-1-carboxamide
PubChem CID56808053
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-octan-2-ylpyrrolidine-1-carboxamide
SMILESCCCCCCC(C)NC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-9-12(2)14-13(16)15-10-7-8-11-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyKWVJUQDEDSNTKF-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115626187
N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
CID 115596643

Frequently Asked Questions

What is the IUPAC name of N-octan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-octan-2-ylpyrrolidine-1-carboxamide (CID 56808053) is N-octan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-octan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-octan-2-ylpyrrolidine-1-carboxamide is CCCCCCC(C)NC(=O)N1CCCC1.
What is the InChIKey of N-octan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is KWVJUQDEDSNTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-6-9-12(2)14-13(16)15-10-7-8-11-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-octan-2-ylpyrrolidine-1-carboxamide?
N-octan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 56808053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).