3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one

C17H26N2O3 — CID 163655376

IUPAC3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one
SMILESCOCC(C)C(C)N(c1c(C)cccc1C)N1CCOC1=O
InChIInChI=1S/C17H26N2O3/c1-12-7-6-8-13(2)16(12)19(15(4)14(3)11-21-5)18-9-10-22-17(18)20/h6-8,14-15H,9-11H2,1-5H3
InChIKeyIPTWHYPNDKFYMK-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.15
Rot. Bonds6

About 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one

3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one (PubChem CID 163655376) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one
PubChem CID163655376
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one
SMILESCOCC(C)C(C)N(c1c(C)cccc1C)N1CCOC1=O
InChIInChI=1S/C17H26N2O3/c1-12-7-6-8-13(2)16(12)19(15(4)14(3)11-21-5)18-9-10-22-17(18)20/h6-8,14-15H,9-11H2,1-5H3
InChIKeyIPTWHYPNDKFYMK-UHFFFAOYSA-N
XLogP3.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one (CID 163655376) is 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one is COCC(C)C(C)N(c1c(C)cccc1C)N1CCOC1=O.
What is the InChIKey of 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one?
The InChIKey is IPTWHYPNDKFYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-7-6-8-13(2)16(12)19(15(4)14(3)11-21-5)18-9-10-22-17(18)20/h6-8,14-15H,9-11H2,1-5H3.
What are the key properties of 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one?
3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-methoxy-3-methylbutan-2-yl)-2,6-dimethylanilino)-1,3-oxazolidin-2-one is sourced from PubChem (CID 163655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).