3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C14H19NO2 — CID 912572

IUPAC3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)14(16)15-9-13-4-3-5-17-13/h6-8,13H,3-5,9H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyMGNQSUMUPWDDEG-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds3

About 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 912572) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID912572
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)14(16)15-9-13-4-3-5-17-13/h6-8,13H,3-5,9H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyMGNQSUMUPWDDEG-ZDUSSCGKSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 912572) is 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1cc(C)cc(C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is MGNQSUMUPWDDEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)14(16)15-9-13-4-3-5-17-13/h6-8,13H,3-5,9H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 912572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).