3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one

C16H23NO4 — CID 63057285

IUPAC3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one
SMILESCOc1ccc(CNCC(C)C)cc1OC1CCOC1=O
InChIInChI=1S/C16H23NO4/c1-11(2)9-17-10-12-4-5-13(19-3)15(8-12)21-14-6-7-20-16(14)18/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyOPTKZIBPDHYFJO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.14
Rot. Bonds7

About 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one

3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one (PubChem CID 63057285) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one
PubChem CID63057285
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one
SMILESCOc1ccc(CNCC(C)C)cc1OC1CCOC1=O
InChIInChI=1S/C16H23NO4/c1-11(2)9-17-10-12-4-5-13(19-3)15(8-12)21-14-6-7-20-16(14)18/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyOPTKZIBPDHYFJO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
3-[2-bromo-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]oxolan-2-one
CID 60888907
3-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one
CID 63059581
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63058330
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
3-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]oxolan-2-one
CID 60887159
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one?
The IUPAC name of 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one (CID 63057285) is 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one.
What is the SMILES notation for 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one?
The canonical SMILES for 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one is COc1ccc(CNCC(C)C)cc1OC1CCOC1=O.
What is the InChIKey of 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one?
The InChIKey is OPTKZIBPDHYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)9-17-10-12-4-5-13(19-3)15(8-12)21-14-6-7-20-16(14)18/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one?
3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one has a molecular weight of 293.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one is sourced from PubChem (CID 63057285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).