2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide

C20H23NO3 — CID 110753031

IUPAC2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
SMILESCOc1ccc(CC(=O)N(CC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-23-18-11-9-16(10-12-18)14-20(22)21(15-19-8-5-13-24-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3
InChIKeyPNHAHRHMOQOPLF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide

2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide (PubChem CID 110753031) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
PubChem CID110753031
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
SMILESCOc1ccc(CC(=O)N(CC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-23-18-11-9-16(10-12-18)14-20(22)21(15-19-8-5-13-24-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3
InChIKeyPNHAHRHMOQOPLF-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8719354
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
CID 110753047
N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 119691200
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8719385
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8720144
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990137
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849731
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N-(1,3-benzothiazol-2-yl)-2-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78804293
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide (CID 110753031) is 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide is COc1ccc(CC(=O)N(CC2CCCO2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide?
The InChIKey is PNHAHRHMOQOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-11-9-16(10-12-18)14-20(22)21(15-19-8-5-13-24-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide?
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide is sourced from PubChem (CID 110753031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).