ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate

C16H23NO2 — CID 103561022

IUPACethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC1CC(C(C)C)C1
InChIInChI=1S/C16H23NO2/c1-4-19-16(18)14-7-5-6-8-15(14)17-13-9-12(10-13)11(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyCCSNWSUZINVREK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.71
Rot. Bonds5

About ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate

ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate (PubChem CID 103561022) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate
PubChem CID103561022
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC1CC(C(C)C)C1
InChIInChI=1S/C16H23NO2/c1-4-19-16(18)14-7-5-6-8-15(14)17-13-9-12(10-13)11(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyCCSNWSUZINVREK-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate?
The IUPAC name of ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate (CID 103561022) is ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate is CCOC(=O)c1ccccc1NC1CC(C(C)C)C1.
What is the InChIKey of ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate?
The InChIKey is CCSNWSUZINVREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-19-16(18)14-7-5-6-8-15(14)17-13-9-12(10-13)11(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate?
ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate is sourced from PubChem (CID 103561022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).