3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide

C15H22N2O3 — CID 56813750

IUPAC3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
SMILESCOc1cc(CC(=O)NCC(C)(C)C(N)=O)ccc1C
InChIInChI=1S/C15H22N2O3/c1-10-5-6-11(7-12(10)20-4)8-13(18)17-9-15(2,3)14(16)19/h5-7H,8-9H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyOYIJNKXYHHPYLW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.17
Rot. Bonds6

About 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide

3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide (PubChem CID 56813750) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
PubChem CID56813750
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
SMILESCOc1cc(CC(=O)NCC(C)(C)C(N)=O)ccc1C
InChIInChI=1S/C15H22N2O3/c1-10-5-6-11(7-12(10)20-4)8-13(18)17-9-15(2,3)14(16)19/h5-7H,8-9H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyOYIJNKXYHHPYLW-UHFFFAOYSA-N
XLogP1.17
TPSA81.42 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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 52992765
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 99815527
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide (CID 56813750) is 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide is COc1cc(CC(=O)NCC(C)(C)C(N)=O)ccc1C.
What is the InChIKey of 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
The InChIKey is OYIJNKXYHHPYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-5-6-11(7-12(10)20-4)8-13(18)17-9-15(2,3)14(16)19/h5-7H,8-9H2,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 56813750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).