N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide

C22H27NO3 — CID 46420066

IUPACN-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCCC(NC(=O)c1cccc(OCC2CCCO2)c1)c1ccc(C)cc1
InChIInChI=1S/C22H27NO3/c1-3-21(17-11-9-16(2)10-12-17)23-22(24)18-6-4-7-19(14-18)26-15-20-8-5-13-25-20/h4,6-7,9-12,14,20-21H,3,5,8,13,15H2,1-2H3,(H,23,24)
InChIKeyZSBPPMFIOQCFFZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.43
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 46420066) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID46420066
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCCC(NC(=O)c1cccc(OCC2CCCO2)c1)c1ccc(C)cc1
InChIInChI=1S/C22H27NO3/c1-3-21(17-11-9-16(2)10-12-17)23-22(24)18-6-4-7-19(14-18)26-15-20-8-5-13-25-20/h4,6-7,9-12,14,20-21H,3,5,8,13,15H2,1-2H3,(H,23,24)
InChIKeyZSBPPMFIOQCFFZ-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
CID 119165878
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38615399
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 46420066) is N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide is CCC(NC(=O)c1cccc(OCC2CCCO2)c1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is ZSBPPMFIOQCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-21(17-11-9-16(2)10-12-17)23-22(24)18-6-4-7-19(14-18)26-15-20-8-5-13-25-20/h4,6-7,9-12,14,20-21H,3,5,8,13,15H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 46420066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).