4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide

C16H21NO3 — CID 6472346

IUPAC4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
SMILESC=C(C)COc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H21NO3/c1-12(2)11-20-14-7-5-13(6-8-14)16(18)17-10-15-4-3-9-19-15/h5-8,15H,1,3-4,9-11H2,2H3,(H,17,18)
InChIKeyQJFVALHRYDEUQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.55
Rot. Bonds6

About 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide

4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 6472346) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID6472346
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
SMILESC=C(C)COc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H21NO3/c1-12(2)11-20-14-7-5-13(6-8-14)16(18)17-10-15-4-3-9-19-15/h5-8,15H,1,3-4,9-11H2,2H3,(H,17,18)
InChIKeyQJFVALHRYDEUQM-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54824689
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836834

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide (CID 6472346) is 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide is C=C(C)COc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QJFVALHRYDEUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)11-20-14-7-5-13(6-8-14)16(18)17-10-15-4-3-9-19-15/h5-8,15H,1,3-4,9-11H2,2H3,(H,17,18).
What are the key properties of 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide?
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 6472346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).