4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one

C17H25NO2 — CID 116587719

IUPAC4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-11-18-16-13-20-12-15(16)17(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3
InChIKeyXMZBLGSFSFGGSL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.59
Rot. Bonds8

About 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one

4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one (PubChem CID 116587719) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
PubChem CID116587719
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-11-18-16-13-20-12-15(16)17(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3
InChIKeyXMZBLGSFSFGGSL-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate
CID 66247348
4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254812
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one (CID 116587719) is 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one is CCCNC1COCC1C(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The InChIKey is XMZBLGSFSFGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-11-18-16-13-20-12-15(16)17(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3.
What are the key properties of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one is sourced from PubChem (CID 116587719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).