3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide

C13H24ClNO — CID 63680548

IUPAC3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
SMILESCCC1CCCCC1NC(=O)C(C)(C)CCl
InChIInChI=1S/C13H24ClNO/c1-4-10-7-5-6-8-11(10)15-12(16)13(2,3)9-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyFNSPMLIQSMISRG-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.34
Rot. Bonds4

About 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide

3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide (PubChem CID 63680548) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
PubChem CID63680548
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
SMILESCCC1CCCCC1NC(=O)C(C)(C)CCl
InChIInChI=1S/C13H24ClNO/c1-4-10-7-5-6-8-11(10)15-12(16)13(2,3)9-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyFNSPMLIQSMISRG-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
CID 113270550
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
N-(2-chlorocyclohexyl)-2,2-dimethylbutanamide
CID 114301240
2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
CID 80555199
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190
3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
CID 54955402
2-[(2-ethylcyclohexyl)amino]-2-methylpropanamide
CID 63863215

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide (CID 63680548) is 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide is CCC1CCCCC1NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is FNSPMLIQSMISRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-4-10-7-5-6-8-11(10)15-12(16)13(2,3)9-14/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide?
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 245.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63680548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).