ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate

C17H23NO4 — CID 70525362

IUPACethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate
SMILESCCOC(=O)N(C(=O)COC)c1c(C)ccc(C2CC2)c1C
InChIInChI=1S/C17H23NO4/c1-5-22-17(20)18(15(19)10-21-4)16-11(2)6-9-14(12(16)3)13-7-8-13/h6,9,13H,5,7-8,10H2,1-4H3
InChIKeyDTKNDLZLQLGYPV-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.32
Rot. Bonds5

About ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate

ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate (PubChem CID 70525362) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate
PubChem CID70525362
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate
SMILESCCOC(=O)N(C(=O)COC)c1c(C)ccc(C2CC2)c1C
InChIInChI=1S/C17H23NO4/c1-5-22-17(20)18(15(19)10-21-4)16-11(2)6-9-14(12(16)3)13-7-8-13/h6,9,13H,5,7-8,10H2,1-4H3
InChIKeyDTKNDLZLQLGYPV-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate?
The IUPAC name of ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate (CID 70525362) is ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate.
What is the SMILES notation for ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate?
The canonical SMILES for ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate is CCOC(=O)N(C(=O)COC)c1c(C)ccc(C2CC2)c1C.
What is the InChIKey of ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate?
The InChIKey is DTKNDLZLQLGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-5-22-17(20)18(15(19)10-21-4)16-11(2)6-9-14(12(16)3)13-7-8-13/h6,9,13H,5,7-8,10H2,1-4H3.
What are the key properties of ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate?
ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate has a molecular weight of 305.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate is sourced from PubChem (CID 70525362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).