3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide

C17H34N2O — CID 70821146

IUPAC3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide
SMILESCCCCCC(CCCC)CC(=O)NC[C@H]1CCCN1
InChIInChI=1S/C17H34N2O/c1-3-5-7-10-15(9-6-4-2)13-17(20)19-14-16-11-8-12-18-16/h15-16,18H,3-14H2,1-2H3,(H,19,20)/t15?,16-/m1/s1
InChIKeyBXBSZIXFTRXGHP-OEMAIJDKSA-N
MW282.47 g/mol
LogP3.63
Rot. Bonds11

About 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide

3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide (PubChem CID 70821146) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide.

Molecular Properties

Compound Name3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide
PubChem CID70821146
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide
SMILESCCCCCC(CCCC)CC(=O)NC[C@H]1CCCN1
InChIInChI=1S/C17H34N2O/c1-3-5-7-10-15(9-6-4-2)13-17(20)19-14-16-11-8-12-18-16/h15-16,18H,3-14H2,1-2H3,(H,19,20)/t15?,16-/m1/s1
InChIKeyBXBSZIXFTRXGHP-OEMAIJDKSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.63
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-butyl-N-[[(2S)-pyrrolidin-2-yl]methyl]octanamide
CID 70821149
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide?
The IUPAC name of 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide (CID 70821146) is 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide.
What is the SMILES notation for 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide?
The canonical SMILES for 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide is CCCCCC(CCCC)CC(=O)NC[C@H]1CCCN1.
What is the InChIKey of 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide?
The InChIKey is BXBSZIXFTRXGHP-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-7-10-15(9-6-4-2)13-17(20)19-14-16-11-8-12-18-16/h15-16,18H,3-14H2,1-2H3,(H,19,20)/t15?,16-/m1/s1.
What are the key properties of 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide?
3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide has a molecular weight of 282.47 g/mol, XLogP of 3.63, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide is sourced from PubChem (CID 70821146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).