(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone

C17H25NO3 — CID 103434883

IUPAC(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H25NO3/c1-5-8-18-15-10-21-9-14(15)16(19)13-7-6-11(2)12(3)17(13)20-4/h6-7,14-15,18H,5,8-10H2,1-4H3
InChIKeyDJDGDYXGDDYIGQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.51
Rot. Bonds6

About (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone

(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 103434883) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID103434883
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H25NO3/c1-5-8-18-15-10-21-9-14(15)16(19)13-7-6-11(2)12(3)17(13)20-4/h6-7,14-15,18H,5,8-10H2,1-4H3
InChIKeyDJDGDYXGDDYIGQ-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methoxy-3,4-dimethylphenyl)-[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

Related Compounds

1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(morpholinomethyl)-, hydrochloride
CID 57077
(2-Methoxy-3,4-dimethylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 103434838
(2-Fluoro-3-methoxyphenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 113536991
(5-Fluoro-2-methoxyphenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 113536995
[4-(Methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116561329
(4-Aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116587595
(2-Fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587835
(5-Fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587867
[4-(Ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116587984
[4-(Ethylamino)oxolan-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 116588117
[4-(Ethylamino)oxolan-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 116588134
[4-(Ethylamino)oxolan-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116588149

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 103434883) is (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1ccc(C)c(C)c1OC.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is DJDGDYXGDDYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-8-18-15-10-21-9-14(15)16(19)13-7-6-11(2)12(3)17(13)20-4/h6-7,14-15,18H,5,8-10H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 103434883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).