N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide

C20H23NO3 — CID 96998228

IUPACN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
SMILESCN(C[C@H]1CCCO1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-21(14-19-8-5-13-23-19)20(22)17-9-11-18(12-10-17)24-15-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3/t19-/m1/s1
InChIKeyZKYNGNNUQMWZCY-LJQANCHMSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds6

About N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide (PubChem CID 96998228) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
PubChem CID96998228
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
SMILESCN(C[C@H]1CCCO1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-21(14-19-8-5-13-23-19)20(22)17-9-11-18(12-10-17)24-15-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3/t19-/m1/s1
InChIKeyZKYNGNNUQMWZCY-LJQANCHMSA-N
XLogP3.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide (CID 96998228) is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide is CN(C[C@H]1CCCO1)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide?
The InChIKey is ZKYNGNNUQMWZCY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21(14-19-8-5-13-23-19)20(22)17-9-11-18(12-10-17)24-15-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3/t19-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide?
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 96998228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).