2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C15H21NO2 — CID 95970650

IUPAC2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NC[C@H]2CCCO2)cc1C
InChIInChI=1S/C15H21NO2/c1-10-7-12(3)14(8-11(10)2)15(17)16-9-13-5-4-6-18-13/h7-8,13H,4-6,9H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyZOBMRESSYIYDGK-CYBMUJFWSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds3

About 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 95970650) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID95970650
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NC[C@H]2CCCO2)cc1C
InChIInChI=1S/C15H21NO2/c1-10-7-12(3)14(8-11(10)2)15(17)16-9-13-5-4-6-18-13/h7-8,13H,4-6,9H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyZOBMRESSYIYDGK-CYBMUJFWSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95976180
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 95970650) is 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is ZOBMRESSYIYDGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-12(3)14(8-11(10)2)15(17)16-9-13-5-4-6-18-13/h7-8,13H,4-6,9H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 95970650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).