2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide

C17H26ClNO2 — CID 67914778

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
SMILESCCOCCC(CC)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C17H26ClNO2/c1-5-15(10-11-21-6-2)19(16(20)12-18)17-13(3)8-7-9-14(17)4/h7-9,15H,5-6,10-12H2,1-4H3
InChIKeyABSBYWQFUMKYCK-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.08
Rot. Bonds8

About 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide (PubChem CID 67914778) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
PubChem CID67914778
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
SMILESCCOCCC(CC)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C17H26ClNO2/c1-5-15(10-11-21-6-2)19(16(20)12-18)17-13(3)8-7-9-14(17)4/h7-9,15H,5-6,10-12H2,1-4H3
InChIKeyABSBYWQFUMKYCK-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide (CID 67914778) is 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide is CCOCCC(CC)N(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide?
The InChIKey is ABSBYWQFUMKYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-5-15(10-11-21-6-2)19(16(20)12-18)17-13(3)8-7-9-14(17)4/h7-9,15H,5-6,10-12H2,1-4H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide has a molecular weight of 311.85 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide is sourced from PubChem (CID 67914778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).