2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide

C23H28N2O4 — CID 42852868

IUPAC2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-17-23(27)25(16-19-6-3-2-4-7-19)20-11-9-18(10-12-20)14-22(26)24-15-21-8-5-13-29-21/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,26)
InChIKeyURFDHIURYLJQGZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.70
Rot. Bonds9

About 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 42852868) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID42852868
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-17-23(27)25(16-19-6-3-2-4-7-19)20-11-9-18(10-12-20)14-22(26)24-15-21-8-5-13-29-21/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,26)
InChIKeyURFDHIURYLJQGZ-UHFFFAOYSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 42852869
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 119691200
N-[(3-fluorophenyl)methyl]-3-methoxy-N-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93291337
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]thiophene-2-carboxamide
CID 93329370
N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681545
3-fluoro-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 46057014
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide (CID 42852868) is 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide is COCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is URFDHIURYLJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-17-23(27)25(16-19-6-3-2-4-7-19)20-11-9-18(10-12-20)14-22(26)24-15-21-8-5-13-29-21/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,26).
What are the key properties of 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 42852868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).