N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H22ClNO2 — CID 106126851

IUPACN-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C12H22ClNO2/c1-12(2,3)16-8-11(15)14-7-9-4-5-10(13)6-9/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyRWAVLUJSJRPSNZ-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.33
Rot. Bonds4

About N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 106126851) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID106126851
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C12H22ClNO2/c1-12(2,3)16-8-11(15)14-7-9-4-5-10(13)6-9/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyRWAVLUJSJRPSNZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605227
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
CID 106126792
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603195
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 106126458
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 106126851) is N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is RWAVLUJSJRPSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-12(2,3)16-8-11(15)14-7-9-4-5-10(13)6-9/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 247.77 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 106126851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).