methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate

C17H25NO3 — CID 63920379

IUPACmethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
SMILESCCNC(COc1cccc(C)c1C)(C(=O)OC)C1CC1
InChIInChI=1S/C17H25NO3/c1-5-18-17(14-9-10-14,16(19)20-4)11-21-15-8-6-7-12(2)13(15)3/h6-8,14,18H,5,9-11H2,1-4H3
InChIKeyKSEKNCLPJSJCNJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.61
Rot. Bonds7

About methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate

methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate (PubChem CID 63920379) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
PubChem CID63920379
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
SMILESCCNC(COc1cccc(C)c1C)(C(=O)OC)C1CC1
InChIInChI=1S/C17H25NO3/c1-5-18-17(14-9-10-14,16(19)20-4)11-21-15-8-6-7-12(2)13(15)3/h6-8,14,18H,5,9-11H2,1-4H3
InChIKeyKSEKNCLPJSJCNJ-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
CID 102983960
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
CID 63906606
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
methyl 2-cyclopropyl-2-(2-methylanilino)pentanoate
CID 114276044

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate (CID 63920379) is methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate is CCNC(COc1cccc(C)c1C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate?
The InChIKey is KSEKNCLPJSJCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-18-17(14-9-10-14,16(19)20-4)11-21-15-8-6-7-12(2)13(15)3/h6-8,14,18H,5,9-11H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate?
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate has a molecular weight of 291.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate is sourced from PubChem (CID 63920379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).