methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate

C16H23NO3 — CID 63921165

IUPACmethyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
SMILESCNC(COc1ccc(C)cc1C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H23NO3/c1-11-5-8-14(12(2)9-11)20-10-16(17-3,13-6-7-13)15(18)19-4/h5,8-9,13,17H,6-7,10H2,1-4H3
InChIKeyZXTNHYHSBUXUPA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate (PubChem CID 63921165) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
PubChem CID63921165
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
SMILESCNC(COc1ccc(C)cc1C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H23NO3/c1-11-5-8-14(12(2)9-11)20-10-16(17-3,13-6-7-13)15(18)19-4/h5,8-9,13,17H,6-7,10H2,1-4H3
InChIKeyZXTNHYHSBUXUPA-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63920376
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
CID 63918613
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
CID 102983960
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
2-cyclopropyl-2-(methylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 63920114

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate (CID 63921165) is methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate is CNC(COc1ccc(C)cc1C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate?
The InChIKey is ZXTNHYHSBUXUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-5-8-14(12(2)9-11)20-10-16(17-3,13-6-7-13)15(18)19-4/h5,8-9,13,17H,6-7,10H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 63921165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).