N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide

C12H20ClNO2 — CID 102638064

IUPACN-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)C1CCCCC1Cl
InChIInChI=1S/C12H20ClNO2/c1-14(11-5-3-2-4-10(11)13)12(15)9-6-7-16-8-9/h9-11H,2-8H2,1H3
InChIKeyVUKRSLNNUAJZLN-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.03
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide

N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide (PubChem CID 102638064) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide
PubChem CID102638064
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)C1CCCCC1Cl
InChIInChI=1S/C12H20ClNO2/c1-14(11-5-3-2-4-10(11)13)12(15)9-6-7-16-8-9/h9-11H,2-8H2,1H3
InChIKeyVUKRSLNNUAJZLN-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982
(3S)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496983
N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 102638062
N-(2-chlorocyclohexyl)-N,2-dimethylthiolane-2-carboxamide
CID 102638124
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
CID 79122716
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide
CID 13273722
N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide
CID 102637926
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide (CID 102638064) is N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide is CN(C(=O)C1CCOC1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide?
The InChIKey is VUKRSLNNUAJZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-14(11-5-3-2-4-10(11)13)12(15)9-6-7-16-8-9/h9-11H,2-8H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide?
N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide has a molecular weight of 245.75 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 102638064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).