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

C14H24ClNO2 — CID 114147613

IUPACN-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC2CCCC(Cl)C2)CCC1
InChIInChI=1S/C14H24ClNO2/c1-18-14(6-3-7-14)9-13(17)16-10-11-4-2-5-12(15)8-11/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyGHROHDVHPNGHMO-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.86
Rot. Bonds5

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

N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 114147613) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID114147613
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC2CCCC(Cl)C2)CCC1
InChIInChI=1S/C14H24ClNO2/c1-18-14(6-3-7-14)9-13(17)16-10-11-4-2-5-12(15)8-11/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyGHROHDVHPNGHMO-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.86
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-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 106126458
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
CID 106132381
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106132007
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107322368
3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103555615
2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119047742
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
N-(3-hydroxycyclobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557188

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide (CID 114147613) is N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC2CCCC(Cl)C2)CCC1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is GHROHDVHPNGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-18-14(6-3-7-14)9-13(17)16-10-11-4-2-5-12(15)8-11/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 273.80 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 114147613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).