methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate

C15H21NO4 — CID 70239669

IUPACmethyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Cc1ccc(OC)cc1C
InChIInChI=1S/C15H21NO4/c1-10-8-12(19-4)7-6-11(10)9-13(17)16-15(2,3)14(18)20-5/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyMNZPOIDCOCRMGB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.61
Rot. Bonds5

About methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate

methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate (PubChem CID 70239669) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
PubChem CID70239669
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Cc1ccc(OC)cc1C
InChIInChI=1S/C15H21NO4/c1-10-8-12(19-4)7-6-11(10)9-13(17)16-15(2,3)14(18)20-5/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyMNZPOIDCOCRMGB-UHFFFAOYSA-N
XLogP1.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
CID 54464746
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
CID 30876031
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
2-(4-methoxy-2-methylphenyl)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 138027048
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 107845955
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
CID 59694298

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate (CID 70239669) is methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)Cc1ccc(OC)cc1C.
What is the InChIKey of methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate?
The InChIKey is MNZPOIDCOCRMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-8-12(19-4)7-6-11(10)9-13(17)16-15(2,3)14(18)20-5/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate?
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 70239669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).