3-chloro-N-(2,2-dimethylcyclohexyl)propanamide

C11H20ClNO — CID 79870321

IUPAC3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
SMILESCC1(C)CCCCC1NC(=O)CCCl
InChIInChI=1S/C11H20ClNO/c1-11(2)7-4-3-5-9(11)13-10(14)6-8-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyJILGWSRIMDNBCR-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds3

About 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide

3-chloro-N-(2,2-dimethylcyclohexyl)propanamide (PubChem CID 79870321) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
PubChem CID79870321
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
SMILESCC1(C)CCCCC1NC(=O)CCCl
InChIInChI=1S/C11H20ClNO/c1-11(2)7-4-3-5-9(11)13-10(14)6-8-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyJILGWSRIMDNBCR-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
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

2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
4-amino-N-(2,2-dimethylcyclopentyl)-4-methylpentanamide
CID 79878624
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
N-(2,2-dimethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605525
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide
CID 79878206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide (CID 79870321) is 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide is CC1(C)CCCCC1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide?
The InChIKey is JILGWSRIMDNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-11(2)7-4-3-5-9(11)13-10(14)6-8-12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide?
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 79870321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).