N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide

C17H19N3O3 — CID 2212457

IUPACN-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-12-11-18-16(21)14-9-5-6-10-15(14)20-17(22)19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyXOEHIXWEYSUUFW-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.71
Rot. Bonds6

About N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide

N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide (PubChem CID 2212457) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide
PubChem CID2212457
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-12-11-18-16(21)14-9-5-6-10-15(14)20-17(22)19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyXOEHIXWEYSUUFW-UHFFFAOYSA-N
XLogP2.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide (CID 2212457) is N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide is COCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide?
The InChIKey is XOEHIXWEYSUUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-12-11-18-16(21)14-9-5-6-10-15(14)20-17(22)19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide?
N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 2212457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).