ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate

C18H27NO2 — CID 82351745

IUPACethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate
SMILESCCOC(=O)CC(Cc1ccc(C(C)C)cc1)NC1CC1
InChIInChI=1S/C18H27NO2/c1-4-21-18(20)12-17(19-16-9-10-16)11-14-5-7-15(8-6-14)13(2)3/h5-8,13,16-17,19H,4,9-12H2,1-3H3
InChIKeyPQTHMWVNPIUWDZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.43
Rot. Bonds8

About ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate

ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate (PubChem CID 82351745) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate
PubChem CID82351745
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate
SMILESCCOC(=O)CC(Cc1ccc(C(C)C)cc1)NC1CC1
InChIInChI=1S/C18H27NO2/c1-4-21-18(20)12-17(19-16-9-10-16)11-14-5-7-15(8-6-14)13(2)3/h5-8,13,16-17,19H,4,9-12H2,1-3H3
InChIKeyPQTHMWVNPIUWDZ-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate 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 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate?
The IUPAC name of ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate (CID 82351745) is ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate is CCOC(=O)CC(Cc1ccc(C(C)C)cc1)NC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate?
The InChIKey is PQTHMWVNPIUWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-21-18(20)12-17(19-16-9-10-16)11-14-5-7-15(8-6-14)13(2)3/h5-8,13,16-17,19H,4,9-12H2,1-3H3.
What are the key properties of ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate?
ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate has a molecular weight of 289.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate is sourced from PubChem (CID 82351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).