N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide

C15H28N2O2 — CID 114339149

IUPACN-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCCC1C1CCCC1O
InChIInChI=1S/C15H28N2O2/c1-2-3-9-16-15(19)11-17-10-5-7-13(17)12-6-4-8-14(12)18/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyDZOSEWAXQJXGPW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds6

About N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide

N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide (PubChem CID 114339149) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
PubChem CID114339149
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCCC1C1CCCC1O
InChIInChI=1S/C15H28N2O2/c1-2-3-9-16-15(19)11-17-10-5-7-13(17)12-6-4-8-14(12)18/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyDZOSEWAXQJXGPW-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340200
N-cyclopropyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339177
N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetamide
CID 114339537
N-tert-butyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340286
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 114339958
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323248
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
2-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339388
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide (CID 114339149) is N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide is CCCCNC(=O)CN1CCCC1C1CCCC1O.
What is the InChIKey of N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide?
The InChIKey is DZOSEWAXQJXGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-9-16-15(19)11-17-10-5-7-13(17)12-6-4-8-14(12)18/h12-14,18H,2-11H2,1H3,(H,16,19).
What are the key properties of N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide?
N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 114339149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).