N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide

C16H32N2O2 — CID 77270059

IUPACN-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide
SMILESCCCCCCCCCN1CC(NC(C)=O)CC1CO
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-8-9-10-18-12-15(17-14(2)20)11-16(18)13-19/h15-16,19H,3-13H2,1-2H3,(H,17,20)
InChIKeyGQRLRZPGAKECHE-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.31
Rot. Bonds10

About N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide

N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide (PubChem CID 77270059) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide
PubChem CID77270059
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide
SMILESCCCCCCCCCN1CC(NC(C)=O)CC1CO
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-8-9-10-18-12-15(17-14(2)20)11-16(18)13-19/h15-16,19H,3-13H2,1-2H3,(H,17,20)
InChIKeyGQRLRZPGAKECHE-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.31
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

(1-dodecylaziridin-2-yl)methanol
CID 87744504
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexyl]acetamide
CID 157463961
2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
N-[5-(2,2-dimethylpropyl)-1-propylpiperidin-3-yl]acetamide
CID 112541700
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide
CID 90002769

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide (CID 77270059) is N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide is CCCCCCCCCN1CC(NC(C)=O)CC1CO.
What is the InChIKey of N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide?
The InChIKey is GQRLRZPGAKECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-5-6-7-8-9-10-18-12-15(17-14(2)20)11-16(18)13-19/h15-16,19H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide?
N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 77270059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).