N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide

C14H24ClNO2 — CID 114304382

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(CCl)(NC(=O)C2CCC(C)O2)CC1
InChIInChI=1S/C14H24ClNO2/c1-10-5-7-14(9-15,8-6-10)16-13(17)12-4-3-11(2)18-12/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyUOZAOGARBVNUHG-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide

N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide (PubChem CID 114304382) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
PubChem CID114304382
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(CCl)(NC(=O)C2CCC(C)O2)CC1
InChIInChI=1S/C14H24ClNO2/c1-10-5-7-14(9-15,8-6-10)16-13(17)12-4-3-11(2)18-12/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyUOZAOGARBVNUHG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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-(1,3-dichloro-2-methylpropan-2-yl)-5-methyloxolane-2-carboxamide
CID 81965560
N-(1,3-dichloro-2-methylpropan-2-yl)-3-methyloxolane-2-carboxamide
CID 81966373
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166737
N-[(3-chlorocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 106132161
N-[(4-chlorocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 106133729
N-(1-chloro-3-methylpentan-3-yl)-3-methyloxolane-2-carboxamide
CID 106168130
N-(1-chloro-3-methylpentan-3-yl)-5-methyloxolane-2-carboxamide
CID 106168427
N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide
CID 106168713
N-[4-(chloromethyl)oxan-4-yl]-5-methyloxolane-2-carboxamide
CID 106300633
N-[4-(chloromethyl)oxan-4-yl]-3-methyloxolane-2-carboxamide
CID 106300765
N-[4-(chloromethyl)oxan-4-yl]oxolane-2-carboxamide
CID 106300781
N-[4-(chloromethyl)oxan-4-yl]-2-methyloxolane-2-carboxamide
CID 106300815

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide (CID 114304382) is N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide is CC1CCC(CCl)(NC(=O)C2CCC(C)O2)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide?
The InChIKey is UOZAOGARBVNUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-10-5-7-14(9-15,8-6-10)16-13(17)12-4-3-11(2)18-12/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide has a molecular weight of 273.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 114304382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).