N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide

C17H18N2O4 — CID 2232874

IUPACN-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-22-14-9-8-12(10-15(14)23-2)17(21)18-11-16(20)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyWDXSQTPXMIPWPH-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.07
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide

N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide (PubChem CID 2232874) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide
PubChem CID2232874
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-22-14-9-8-12(10-15(14)23-2)17(21)18-11-16(20)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyWDXSQTPXMIPWPH-UHFFFAOYSA-N
XLogP2.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide (CID 2232874) is N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide?
The InChIKey is WDXSQTPXMIPWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-14-9-8-12(10-15(14)23-2)17(21)18-11-16(20)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide?
N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 2232874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).