2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

C14H20ClNO2 — CID 78770055

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-5-14(3,4)16-13(17)9-18-12-8-10(2)6-7-11(12)15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyLXYCFZXZRPPOQJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 78770055) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID78770055
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-5-14(3,4)16-13(17)9-18-12-8-10(2)6-7-11(12)15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyLXYCFZXZRPPOQJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933583
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
5-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911896
N-(2-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639941
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 78770055) is 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LXYCFZXZRPPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-14(3,4)16-13(17)9-18-12-8-10(2)6-7-11(12)15/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78770055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).