methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate

C17H23NO3 — CID 110190068

IUPACmethyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate
SMILESCOC(=O)C(C)N(C(=O)C1CC1C)c1c(C)cccc1C
InChIInChI=1S/C17H23NO3/c1-10-7-6-8-11(2)15(10)18(13(4)17(20)21-5)16(19)14-9-12(14)3/h6-8,12-14H,9H2,1-5H3
InChIKeyWBBDXIKJUMBSMQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.85
Rot. Bonds4

About methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate

methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate (PubChem CID 110190068) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate
PubChem CID110190068
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate
SMILESCOC(=O)C(C)N(C(=O)C1CC1C)c1c(C)cccc1C
InChIInChI=1S/C17H23NO3/c1-10-7-6-8-11(2)15(10)18(13(4)17(20)21-5)16(19)14-9-12(14)3/h6-8,12-14H,9H2,1-5H3
InChIKeyWBBDXIKJUMBSMQ-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate?
The IUPAC name of methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate (CID 110190068) is methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate.
What is the SMILES notation for methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate?
The canonical SMILES for methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate is COC(=O)C(C)N(C(=O)C1CC1C)c1c(C)cccc1C.
What is the InChIKey of methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate?
The InChIKey is WBBDXIKJUMBSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-10-7-6-8-11(2)15(10)18(13(4)17(20)21-5)16(19)14-9-12(14)3/h6-8,12-14H,9H2,1-5H3.
What are the key properties of methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate?
methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate has a molecular weight of 289.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethyl-N-(2-methylcyclopropanecarbonyl)anilino)propanoate is sourced from PubChem (CID 110190068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).