N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide

C14H24ClNO2 — CID 114303934

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
SMILESCC1CCCC(CCl)(NC(=O)C2CCOC2C)C1
InChIInChI=1S/C14H24ClNO2/c1-10-4-3-6-14(8-10,9-15)16-13(17)12-5-7-18-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyASKGDSLIPMYXEV-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide (PubChem CID 114303934) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
PubChem CID114303934
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
SMILESCC1CCCC(CCl)(NC(=O)C2CCOC2C)C1
InChIInChI=1S/C14H24ClNO2/c1-10-4-3-6-14(8-10,9-15)16-13(17)12-5-7-18-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyASKGDSLIPMYXEV-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.72
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-(1,3-dichloro-2-methylpropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 81966456
N-(1-chloro-2-methylpropan-2-yl)-2-ethyloxolane-3-carboxamide
CID 105728384
N-[1-(chloromethyl)cyclopentyl]-2-ethyloxolane-3-carboxamide
CID 105728404
N-[1-(chloromethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide
CID 105728418
N-(1-chloro-2-methylbutan-2-yl)-2-ethyloxolane-3-carboxamide
CID 105728420
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethyloxolane-3-carboxamide
CID 105728422
N-[3-(chloromethyl)pentan-3-yl]-2-ethyloxolane-3-carboxamide
CID 105728424
N-(1,3-dichloro-2-methylpropan-2-yl)-2-ethyloxolane-3-carboxamide
CID 105728502
N-(4-chloro-2-methylbutan-2-yl)-2-ethyloxolane-3-carboxamide
CID 105728558
N-[1-(chloromethyl)cyclopropyl]-2-ethyloxolane-3-carboxamide
CID 105728561
N-(3-chloro-2-methylbutan-2-yl)-2-ethyloxolane-3-carboxamide
CID 105728565
N-[1-(chloromethyl)cyclobutyl]-2-ethyloxolane-3-carboxamide
CID 105728568

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide (CID 114303934) is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide is CC1CCCC(CCl)(NC(=O)C2CCOC2C)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
The InChIKey is ASKGDSLIPMYXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-10-4-3-6-14(8-10,9-15)16-13(17)12-5-7-18-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide has a molecular weight of 273.80 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 114303934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).