2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C18H29NO2 — CID 102914299

IUPAC2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-12(2)16(13(3)4)10-19-18(20)11-21-17-8-7-14(5)9-15(17)6/h7-9,12-13,16H,10-11H2,1-6H3,(H,19,20)
InChIKeyFSMBLHGDPROYGF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.73
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102914299) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102914299
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-12(2)16(13(3)4)10-19-18(20)11-21-17-8-7-14(5)9-15(17)6/h7-9,12-13,16H,10-11H2,1-6H3,(H,19,20)
InChIKeyFSMBLHGDPROYGF-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 43067301
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157169
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43406193
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102914299) is 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is Cc1ccc(OCC(=O)NCC(C(C)C)C(C)C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is FSMBLHGDPROYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)16(13(3)4)10-19-18(20)11-21-17-8-7-14(5)9-15(17)6/h7-9,12-13,16H,10-11H2,1-6H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102914299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).