3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

C15H21NO2 — CID 110755294

IUPAC3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21NO2/c1-12-4-2-5-13(10-12)7-8-15(17)16-11-14-6-3-9-18-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,16,17)
InChIKeyMICLUPOMEXHHMS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds5

About 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 110755294) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID110755294
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21NO2/c1-12-4-2-5-13(10-12)7-8-15(17)16-11-14-6-3-9-18-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,16,17)
InChIKeyMICLUPOMEXHHMS-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methylphenyl)propanamide
CID 51276920
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide (CID 110755294) is 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide is Cc1cccc(CCC(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MICLUPOMEXHHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-2-5-13(10-12)7-8-15(17)16-11-14-6-3-9-18-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,16,17).
What are the key properties of 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 110755294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).