N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide

C14H24ClNO2 — CID 106366815

IUPACN-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC2CCCCC2CCl)CCC1
InChIInChI=1S/C14H24ClNO2/c1-18-14(7-4-8-14)9-13(17)16-12-6-3-2-5-11(12)10-15/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyDJBIHYQXJBWBAD-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide

N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 106366815) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID106366815
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC2CCCCC2CCl)CCC1
InChIInChI=1S/C14H24ClNO2/c1-18-14(7-4-8-14)9-13(17)16-12-6-3-2-5-11(12)10-15/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyDJBIHYQXJBWBAD-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide (CID 106366815) is N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC2CCCCC2CCl)CCC1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is DJBIHYQXJBWBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-18-14(7-4-8-14)9-13(17)16-12-6-3-2-5-11(12)10-15/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide?
N-[2-(chloromethyl)cyclohexyl]-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-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 106366815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).