N-[(3S)-pyrrolidin-3-yl]decanamide

C14H28N2O — CID 79688087

IUPACN-[(3S)-pyrrolidin-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14(17)16-13-10-11-15-12-13/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyWYROXBABJCTFLS-ZDUSSCGKSA-N
MW240.39 g/mol
LogP2.61
Rot. Bonds9

About N-[(3S)-pyrrolidin-3-yl]decanamide

N-[(3S)-pyrrolidin-3-yl]decanamide (PubChem CID 79688087) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]decanamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]decanamide
PubChem CID79688087
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(3S)-pyrrolidin-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14(17)16-13-10-11-15-12-13/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyWYROXBABJCTFLS-ZDUSSCGKSA-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-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
N-(azepan-4-yl)dodecanamide
CID 105060891
3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119454357
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]decanamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]decanamide (CID 79688087) is N-[(3S)-pyrrolidin-3-yl]decanamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]decanamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]decanamide is CCCCCCCCCC(=O)N[C@H]1CCNC1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]decanamide?
The InChIKey is WYROXBABJCTFLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14(17)16-13-10-11-15-12-13/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]decanamide?
N-[(3S)-pyrrolidin-3-yl]decanamide 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-[(3S)-pyrrolidin-3-yl]decanamide is sourced from PubChem (CID 79688087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).