N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide

C13H22ClNO2 — CID 106126458

IUPACN-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC2CCC(Cl)C2)CCC1
InChIInChI=1S/C13H22ClNO2/c1-17-13(5-2-6-13)8-12(16)15-9-10-3-4-11(14)7-10/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyGMHNWSMZBBVRPD-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.47
Rot. Bonds5

About N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide

N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 106126458) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID106126458
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC2CCC(Cl)C2)CCC1
InChIInChI=1S/C13H22ClNO2/c1-17-13(5-2-6-13)8-12(16)15-9-10-3-4-11(14)7-10/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyGMHNWSMZBBVRPD-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.47
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-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 114147613
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106126851
N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
CID 106126792
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107322368
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119047742
N-(3-hydroxycyclobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557188

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide (CID 106126458) is N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC2CCC(Cl)C2)CCC1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is GMHNWSMZBBVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-17-13(5-2-6-13)8-12(16)15-9-10-3-4-11(14)7-10/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 259.78 g/mol, XLogP of 2.47, 5 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-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 106126458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).