N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide

C20H22N2O3 — CID 2925259

IUPACN-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O3/c23-19(13-15-5-2-1-3-6-15)22-17-10-8-16(9-11-17)20(24)21-14-18-7-4-12-25-18/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,24)(H,22,23)
InChIKeyTUEDHEIOEREPEA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.78
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide

N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 2925259) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID2925259
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O3/c23-19(13-15-5-2-1-3-6-15)22-17-10-8-16(9-11-17)20(24)21-14-18-7-4-12-25-18/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,24)(H,22,23)
InChIKeyTUEDHEIOEREPEA-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide (CID 2925259) is N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is TUEDHEIOEREPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(13-15-5-2-1-3-6-15)22-17-10-8-16(9-11-17)20(24)21-14-18-7-4-12-25-18/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,24)(H,22,23).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 2925259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).