5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one

C16H32N2O2 — CID 3040566

IUPAC5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN(CC(C)C)CC1CN(CC(C)C)C(=O)O1
InChIInChI=1S/C16H32N2O2/c1-12(2)7-17(8-13(3)4)10-15-11-18(9-14(5)6)16(19)20-15/h12-15H,7-11H2,1-6H3
InChIKeyFPBBHPCAWIVFQM-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.08
Rot. Bonds8

About 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one

5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 3040566) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID3040566
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN(CC(C)C)CC1CN(CC(C)C)C(=O)O1
InChIInChI=1S/C16H32N2O2/c1-12(2)7-17(8-13(3)4)10-15-11-18(9-14(5)6)16(19)20-15/h12-15H,7-11H2,1-6H3
InChIKeyFPBBHPCAWIVFQM-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[[methyl(2-methylpropyl)amino]methyl]-3-(4-methylpentyl)-1,3-oxazolidin-2-one
CID 138727162
3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one
CID 86160491
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 83896552
(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 118216515
[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
CID 18356979
5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
CID 82378835
(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium
CID 10615133
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67261780
2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine
CID 102075337
propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 112594210

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 3040566) is 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CN(CC(C)C)CC1CN(CC(C)C)C(=O)O1.
What is the InChIKey of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is FPBBHPCAWIVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)7-17(8-13(3)4)10-15-11-18(9-14(5)6)16(19)20-15/h12-15H,7-11H2,1-6H3.
What are the key properties of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 284.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3040566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).