2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide

C15H22N2O3 — CID 9300913

IUPAC2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCc1cccc(OCC(=O)NCC(=O)NC(C)C)c1C
InChIInChI=1S/C15H22N2O3/c1-10(2)17-14(18)8-16-15(19)9-20-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyVKOMDAVCWJURTK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds6

About 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9300913) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9300913
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCc1cccc(OCC(=O)NCC(=O)NC(C)C)c1C
InChIInChI=1S/C15H22N2O3/c1-10(2)17-14(18)8-16-15(19)9-20-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyVKOMDAVCWJURTK-UHFFFAOYSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581872
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
(2S,3R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964954
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 9300913) is 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide is Cc1cccc(OCC(=O)NCC(=O)NC(C)C)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is VKOMDAVCWJURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17-14(18)8-16-15(19)9-20-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9300913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).