3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide

C13H24ClNO — CID 63665922

IUPAC3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCCC1CNC(=O)C(C)(C)CCl
InChIInChI=1S/C13H24ClNO/c1-10-6-4-5-7-11(10)8-15-12(16)13(2,3)9-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyYVYHXPOVBBRZIM-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide

3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide (PubChem CID 63665922) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
PubChem CID63665922
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCCC1CNC(=O)C(C)(C)CCl
InChIInChI=1S/C13H24ClNO/c1-10-6-4-5-7-11(10)8-15-12(16)13(2,3)9-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyYVYHXPOVBBRZIM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420162
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
(2-methylcyclopentyl)methylurea
CID 107417745
3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
CID 108571121
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide (CID 63665922) is 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide is CC1CCCCC1CNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide?
The InChIKey is YVYHXPOVBBRZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-10-6-4-5-7-11(10)8-15-12(16)13(2,3)9-14/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide?
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide has a molecular weight of 245.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 63665922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).