N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H25NO3 — CID 112603229

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-8-11(16)14-9-13(10-15)6-4-5-7-13/h15H,4-10H2,1-3H3,(H,14,16)
InChIKeyPVDNDJBFHBWGFM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603229) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603229
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-8-11(16)14-9-13(10-15)6-4-5-7-13/h15H,4-10H2,1-3H3,(H,14,16)
InChIKeyPVDNDJBFHBWGFM-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604290
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
N-[1-(hydroxymethyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968618
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
CID 115358209
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603229) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PVDNDJBFHBWGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-8-11(16)14-9-13(10-15)6-4-5-7-13/h15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).