N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide

C14H24ClNO2 — CID 103969599

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2(CCl)CCCCC2)O1
InChIInChI=1S/C14H24ClNO2/c1-11-5-6-12(18-11)13(17)16-10-14(9-15)7-3-2-4-8-14/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyQISMGUAQOHDJTF-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.86
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide (PubChem CID 103969599) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
PubChem CID103969599
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2(CCl)CCCCC2)O1
InChIInChI=1S/C14H24ClNO2/c1-11-5-6-12(18-11)13(17)16-10-14(9-15)7-3-2-4-8-14/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyQISMGUAQOHDJTF-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945543
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
CID 114304382
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[[1-(chloromethyl)cyclohexyl]methyl]thiolane-3-carboxamide
CID 103969362
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide
CID 113359953

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide (CID 103969599) is N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCC2(CCl)CCCCC2)O1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is QISMGUAQOHDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-11-5-6-12(18-11)13(17)16-10-14(9-15)7-3-2-4-8-14/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 273.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 103969599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).