2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide

C15H26ClNO — CID 13342303

IUPAC2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESCC(C)N(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H26ClNO/c1-11(2)17(13(18)9-16)12-7-14(3,4)10-15(5,6)8-12/h7,11H,8-10H2,1-6H3
InChIKeyZMFVLNREWBABDO-UHFFFAOYSA-N
MW271.83 g/mol
LogP4.19
Rot. Bonds3

About 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide

2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide (PubChem CID 13342303) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
PubChem CID13342303
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESCC(C)N(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H26ClNO/c1-11(2)17(13(18)9-16)12-7-14(3,4)10-15(5,6)8-12/h7,11H,8-10H2,1-6H3
InChIKeyZMFVLNREWBABDO-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide (CID 13342303) is 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide is CC(C)N(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The InChIKey is ZMFVLNREWBABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-11(2)17(13(18)9-16)12-7-14(3,4)10-15(5,6)8-12/h7,11H,8-10H2,1-6H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide has a molecular weight of 271.83 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 13342303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).