4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

C19H21NO3 — CID 4957909

IUPAC4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-4-6-15(7-5-14)19(21)20-16-8-10-17(11-9-16)23-13-18-3-2-12-22-18/h4-11,18H,2-3,12-13H2,1H3,(H,20,21)
InChIKeyJWXLEGZVJBTWSY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.81
Rot. Bonds5

About 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 4957909) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID4957909
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-4-6-15(7-5-14)19(21)20-16-8-10-17(11-9-16)23-13-18-3-2-12-22-18/h4-11,18H,2-3,12-13H2,1H3,(H,20,21)
InChIKeyJWXLEGZVJBTWSY-UHFFFAOYSA-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

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 4957909) is 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is JWXLEGZVJBTWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-4-6-15(7-5-14)19(21)20-16-8-10-17(11-9-16)23-13-18-3-2-12-22-18/h4-11,18H,2-3,12-13H2,1H3,(H,20,21).
What are the key properties of 4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-methyl-N-[4-(oxolan-2-ylmethoxy)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-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 4957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).