2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide

C18H26ClNO2 — CID 166418440

IUPAC2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
SMILESCCc1cccc(CN(C(=O)CCl)C2CCOC(C)(C)C2)c1
InChIInChI=1S/C18H26ClNO2/c1-4-14-6-5-7-15(10-14)13-20(17(21)12-19)16-8-9-22-18(2,3)11-16/h5-7,10,16H,4,8-9,11-13H2,1-3H3
InChIKeyCYRMPUVJKHDLDN-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.77
Rot. Bonds5

About 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide

2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide (PubChem CID 166418440) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
PubChem CID166418440
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
SMILESCCc1cccc(CN(C(=O)CCl)C2CCOC(C)(C)C2)c1
InChIInChI=1S/C18H26ClNO2/c1-4-14-6-5-7-15(10-14)13-20(17(21)12-19)16-8-9-22-18(2,3)11-16/h5-7,10,16H,4,8-9,11-13H2,1-3H3
InChIKeyCYRMPUVJKHDLDN-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide (CID 166418440) is 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide is CCc1cccc(CN(C(=O)CCl)C2CCOC(C)(C)C2)c1.
What is the InChIKey of 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide?
The InChIKey is CYRMPUVJKHDLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-4-14-6-5-7-15(10-14)13-20(17(21)12-19)16-8-9-22-18(2,3)11-16/h5-7,10,16H,4,8-9,11-13H2,1-3H3.
What are the key properties of 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide?
2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide has a molecular weight of 323.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 166418440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).