(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone

C18H25NO2 — CID 114607650

IUPAC(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C18H25NO2/c1-2-10-19-17-12-21-11-16(17)18(20)15-9-4-3-8-14(15)13-6-5-7-13/h3-4,8-9,13,16-17,19H,2,5-7,10-12H2,1H3
InChIKeyMUCSAUWMQIVQMB-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.15
Rot. Bonds6

About (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone

(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 114607650) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID114607650
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C18H25NO2/c1-2-10-19-17-12-21-11-16(17)18(20)15-9-4-3-8-14(15)13-6-5-7-13/h3-4,8-9,13,16-17,19H,2,5-7,10-12H2,1H3
InChIKeyMUCSAUWMQIVQMB-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone 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 (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 114607650) is (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is MUCSAUWMQIVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-10-19-17-12-21-11-16(17)18(20)15-9-4-3-8-14(15)13-6-5-7-13/h3-4,8-9,13,16-17,19H,2,5-7,10-12H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 287.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114607650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).