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

C19H27NO4 — CID 20502728

IUPACethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N(C(=O)COC)c2c(CC)cccc2CC)CC1
InChIInChI=1S/C19H27NO4/c1-5-14-9-8-10-15(6-2)17(14)20(16(21)13-23-4)19(11-12-19)18(22)24-7-3/h8-10H,5-7,11-13H2,1-4H3
InChIKeyLRGHNVOKJONIMV-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.89
Rot. Bonds8

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

ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate (PubChem CID 20502728) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate
PubChem CID20502728
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N(C(=O)COC)c2c(CC)cccc2CC)CC1
InChIInChI=1S/C19H27NO4/c1-5-14-9-8-10-15(6-2)17(14)20(16(21)13-23-4)19(11-12-19)18(22)24-7-3/h8-10H,5-7,11-13H2,1-4H3
InChIKeyLRGHNVOKJONIMV-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate (CID 20502728) is ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate is CCOC(=O)C1(N(C(=O)COC)c2c(CC)cccc2CC)CC1.
What is the InChIKey of ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate?
The InChIKey is LRGHNVOKJONIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-5-14-9-8-10-15(6-2)17(14)20(16(21)13-23-4)19(11-12-19)18(22)24-7-3/h8-10H,5-7,11-13H2,1-4H3.
What are the key properties of ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate?
ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 20502728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).