N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide

C28H32N2O4 — CID 24980370

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2CCc2ccccc2)cc1OCC
InChIInChI=1S/C28H32N2O4/c1-4-33-25-18-17-23(19-26(25)34-5-2)29-27(31)20-30(3)28(32)24-14-10-9-13-22(24)16-15-21-11-7-6-8-12-21/h6-14,17-19H,4-5,15-16,20H2,1-3H3,(H,29,31)
InChIKeyVSGKEBJDQAFEFW-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.98
Rot. Bonds11

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide (PubChem CID 24980370) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
PubChem CID24980370
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2CCc2ccccc2)cc1OCC
InChIInChI=1S/C28H32N2O4/c1-4-33-25-18-17-23(19-26(25)34-5-2)29-27(31)20-30(3)28(32)24-14-10-9-13-22(24)16-15-21-11-7-6-8-12-21/h6-14,17-19H,4-5,15-16,20H2,1-3H3,(H,29,31)
InChIKeyVSGKEBJDQAFEFW-UHFFFAOYSA-N
XLogP4.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide (CID 24980370) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2CCc2ccccc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide?
The InChIKey is VSGKEBJDQAFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-4-33-25-18-17-23(19-26(25)34-5-2)29-27(31)20-30(3)28(32)24-14-10-9-13-22(24)16-15-21-11-7-6-8-12-21/h6-14,17-19H,4-5,15-16,20H2,1-3H3,(H,29,31).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide has a molecular weight of 460.57 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 24980370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).