N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide

C12H23NO3 — CID 103021126

IUPACN-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC1CCCC1CO
InChIInChI=1S/C12H23NO3/c1-12(2,16-3)11(15)13-7-9-5-4-6-10(9)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyCAEZRYYLJGNFJQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.94
Rot. Bonds5

About N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide (PubChem CID 103021126) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
PubChem CID103021126
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC1CCCC1CO
InChIInChI=1S/C12H23NO3/c1-12(2,16-3)11(15)13-7-9-5-4-6-10(9)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyCAEZRYYLJGNFJQ-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103708572
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
N-[(2-aminocyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103022530
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80551292
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603195
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
CID 106113069
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide (CID 103021126) is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCC1CCCC1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide?
The InChIKey is CAEZRYYLJGNFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,16-3)11(15)13-7-9-5-4-6-10(9)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide?
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103021126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).