(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

C16H23NO3 — CID 116587685

IUPAC(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H23NO3/c1-3-9-17-15-11-19-10-14(15)16(18)12-5-7-13(8-6-12)20-4-2/h5-8,14-15,17H,3-4,9-11H2,1-2H3
InChIKeyHFRUCLCUIIFSAZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.28
Rot. Bonds7

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

(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587685) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587685
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H23NO3/c1-3-9-17-15-11-19-10-14(15)16(18)12-5-7-13(8-6-12)20-4-2/h5-8,14-15,17H,3-4,9-11H2,1-2H3
InChIKeyHFRUCLCUIIFSAZ-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587893
(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587830
(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116811557
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 103434883
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461
(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114607650
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116587685) is (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1ccc(OCC)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is HFRUCLCUIIFSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-9-17-15-11-19-10-14(15)16(18)12-5-7-13(8-6-12)20-4-2/h5-8,14-15,17H,3-4,9-11H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 277.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).