ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate

C17H23NO4 — CID 13132102

IUPACethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N(C(=O)COC)c2c(C)cccc2C)CC1
InChIInChI=1S/C17H23NO4/c1-5-22-16(20)17(9-10-17)18(14(19)11-21-4)15-12(2)7-6-8-13(15)3/h6-8H,5,9-11H2,1-4H3
InChIKeyZXPFTOMWUCKKHB-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.38
Rot. Bonds6

About ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate

ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate (PubChem CID 13132102) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate
PubChem CID13132102
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N(C(=O)COC)c2c(C)cccc2C)CC1
InChIInChI=1S/C17H23NO4/c1-5-22-16(20)17(9-10-17)18(14(19)11-21-4)15-12(2)7-6-8-13(15)3/h6-8H,5,9-11H2,1-4H3
InChIKeyZXPFTOMWUCKKHB-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate (CID 13132102) is ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate is CCOC(=O)C1(N(C(=O)COC)c2c(C)cccc2C)CC1.
What is the InChIKey of ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
The InChIKey is ZXPFTOMWUCKKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-5-22-16(20)17(9-10-17)18(14(19)11-21-4)15-12(2)7-6-8-13(15)3/h6-8H,5,9-11H2,1-4H3.
What are the key properties of ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 13132102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).