4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide

C19H21NO3 — CID 41386200

IUPAC4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H21NO3/c1-14-8-10-15(11-9-14)19(21)20-17-6-2-3-7-18(17)23-13-16-5-4-12-22-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyGITOGNQHXAFPLW-INIZCTEOSA-N
MW311.38 g/mol
LogP3.81
Rot. Bonds5

About 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide

4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide (PubChem CID 41386200) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
PubChem CID41386200
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H21NO3/c1-14-8-10-15(11-9-14)19(21)20-17-6-2-3-7-18(17)23-13-16-5-4-12-22-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyGITOGNQHXAFPLW-INIZCTEOSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131903658
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131932451
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide (CID 41386200) is 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
The InChIKey is GITOGNQHXAFPLW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-8-10-15(11-9-14)19(21)20-17-6-2-3-7-18(17)23-13-16-5-4-12-22-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide?
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 41386200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).