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

C14H24ClNO — CID 19706486

IUPAC2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
SMILESCC1C=C(C(Cl)C(=O)NC(C)C)CC(C)(C)C1
InChIInChI=1S/C14H24ClNO/c1-9(2)16-13(17)12(15)11-6-10(3)7-14(4,5)8-11/h6,9-10,12H,7-8H2,1-5H3,(H,16,17)
InChIKeyWJWOTOZEBHZHPW-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.50
Rot. Bonds3

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

2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide (PubChem CID 19706486) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
PubChem CID19706486
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
SMILESCC1C=C(C(Cl)C(=O)NC(C)C)CC(C)(C)C1
InChIInChI=1S/C14H24ClNO/c1-9(2)16-13(17)12(15)11-6-10(3)7-14(4,5)8-11/h6,9-10,12H,7-8H2,1-5H3,(H,16,17)
InChIKeyWJWOTOZEBHZHPW-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide (CID 19706486) is 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide is CC1C=C(C(Cl)C(=O)NC(C)C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
The InChIKey is WJWOTOZEBHZHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-9(2)16-13(17)12(15)11-6-10(3)7-14(4,5)8-11/h6,9-10,12H,7-8H2,1-5H3,(H,16,17).
What are the key properties of 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide has a molecular weight of 257.80 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 19706486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).