3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide

C13H24ClNO — CID 63995507

IUPAC3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC1CCC(NC(=O)C(C)(C)CCl)C(C)C1
InChIInChI=1S/C13H24ClNO/c1-9-5-6-11(10(2)7-9)15-12(16)13(3,4)8-14/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyYROKYSNHVASLJA-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.19
Rot. Bonds3

About 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide

3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide (PubChem CID 63995507) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
PubChem CID63995507
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC1CCC(NC(=O)C(C)(C)CCl)C(C)C1
InChIInChI=1S/C13H24ClNO/c1-9-5-6-11(10(2)7-9)15-12(16)13(3,4)8-14/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyYROKYSNHVASLJA-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.19
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
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
ethyl 2-[(2,4-dimethylcyclohexyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538093
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644528
4-amino-N-(2,4-dimethylcyclohexyl)butanamide
CID 63997351

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide (CID 63995507) is 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide is CC1CCC(NC(=O)C(C)(C)CCl)C(C)C1.
What is the InChIKey of 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is YROKYSNHVASLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-9-5-6-11(10(2)7-9)15-12(16)13(3,4)8-14/h9-11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 245.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-dimethylcyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63995507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).