3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one

C13H17NO4 — CID 43824156

IUPAC3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one
SMILESCOc1cc(CNC2CCOC2=O)cc(OC)c1
InChIInChI=1S/C13H17NO4/c1-16-10-5-9(6-11(7-10)17-2)8-14-12-3-4-18-13(12)15/h5-7,12,14H,3-4,8H2,1-2H3
InChIKeySVKWZMPMKKULPP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.11
Rot. Bonds5

About 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one

3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one (PubChem CID 43824156) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one
PubChem CID43824156
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one
SMILESCOc1cc(CNC2CCOC2=O)cc(OC)c1
InChIInChI=1S/C13H17NO4/c1-16-10-5-9(6-11(7-10)17-2)8-14-12-3-4-18-13(12)15/h5-7,12,14H,3-4,8H2,1-2H3
InChIKeySVKWZMPMKKULPP-UHFFFAOYSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(2-oxooxolan-3-yl)amino]methyl]benzoate
CID 43823979
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
N-(3-methoxyphenyl)-2-[(2-oxooxolan-3-yl)amino]acetamide
CID 43825760
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
CID 43823904
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461561
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 54948810

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one (CID 43824156) is 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one is COc1cc(CNC2CCOC2=O)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one?
The InChIKey is SVKWZMPMKKULPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-10-5-9(6-11(7-10)17-2)8-14-12-3-4-18-13(12)15/h5-7,12,14H,3-4,8H2,1-2H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one?
3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one is sourced from PubChem (CID 43824156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).