(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

C16H23NO4 — CID 116811557

IUPAC(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H23NO4/c1-4-8-17-12-10-21-9-11(12)16(18)15-13(19-2)6-5-7-14(15)20-3/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyQUSNVPNDGYNAQR-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.90
Rot. Bonds7

About (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116811557) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116811557
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H23NO4/c1-4-8-17-12-10-21-9-11(12)16(18)15-13(19-2)6-5-7-14(15)20-3/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyQUSNVPNDGYNAQR-UHFFFAOYSA-N
XLogP1.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66256873
(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 103434883
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587830
(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587685
(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114607650
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587719
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116811557) is (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1c(OC)cccc1OC.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is QUSNVPNDGYNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-8-17-12-10-21-9-11(12)16(18)15-13(19-2)6-5-7-14(15)20-3/h5-7,11-12,17H,4,8-10H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 293.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).