2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide

C11H20ClNO — CID 123554977

IUPAC2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(C(Cl)C(N)=O)CC(C)(C)C1
InChIInChI=1S/C11H20ClNO/c1-7-4-8(9(12)10(13)14)6-11(2,3)5-7/h7-9H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCVLOWSMPAHUNHZ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide

2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide (PubChem CID 123554977) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide
PubChem CID123554977
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(C(Cl)C(N)=O)CC(C)(C)C1
InChIInChI=1S/C11H20ClNO/c1-7-4-8(9(12)10(13)14)6-11(2,3)5-7/h7-9H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCVLOWSMPAHUNHZ-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.54
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-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
CID 106344401
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
1-(3,3,5-trimethylcyclohexyl)butan-1-amine
CID 83048656
(3,3,5-trimethylcyclohexyl) (2R)-2-amino-3,3-dimethylbutanoate
CID 113353136
(3,3,5-trimethylcyclohexyl) (2S)-2-amino-3-hydroxypropanoate
CID 61303672
N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine
CID 79308584
1,1,3-trimethylcyclobutane
CID 12656861
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
N'-(3,3,5-trimethylcyclohexyl)butanediamide
CID 121317359
(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid
CID 67883901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide?
The IUPAC name of 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide (CID 123554977) is 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide is CC1CC(C(Cl)C(N)=O)CC(C)(C)C1.
What is the InChIKey of 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide?
The InChIKey is CVLOWSMPAHUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-7-4-8(9(12)10(13)14)6-11(2,3)5-7/h7-9H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide?
2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide has a molecular weight of 217.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 123554977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).