ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate

C17H25NO3 — CID 103563491

IUPACethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(OC)c2)CC(C(C)C)C1
InChIInChI=1S/C17H25NO3/c1-5-21-16(19)17(10-13(11-17)12(2)3)18-14-7-6-8-15(9-14)20-4/h6-9,12-13,18H,5,10-11H2,1-4H3
InChIKeyFSWFQWQAWYBBFE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.47
Rot. Bonds6

About ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate

ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate (PubChem CID 103563491) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
PubChem CID103563491
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(OC)c2)CC(C(C)C)C1
InChIInChI=1S/C17H25NO3/c1-5-21-16(19)17(10-13(11-17)12(2)3)18-14-7-6-8-15(9-14)20-4/h6-9,12-13,18H,5,10-11H2,1-4H3
InChIKeyFSWFQWQAWYBBFE-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate (CID 103563491) is ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate is CCOC(=O)C1(Nc2cccc(OC)c2)CC(C(C)C)C1.
What is the InChIKey of ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate?
The InChIKey is FSWFQWQAWYBBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-21-16(19)17(10-13(11-17)12(2)3)18-14-7-6-8-15(9-14)20-4/h6-9,12-13,18H,5,10-11H2,1-4H3.
What are the key properties of ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate?
ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 103563491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).