N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

C20H22N2O4 — CID 40742879

IUPACN-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-13-26-16-10-8-15(9-11-16)19(23)22-18-7-5-4-6-17(18)20(24)21-12-14-25-2/h3-11H,1,12-14H2,2H3,(H,21,24)(H,22,23)
InChIKeyIVULKWNDEWEWIL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds9

About N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (PubChem CID 40742879) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
PubChem CID40742879
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-13-26-16-10-8-15(9-11-16)19(23)22-18-7-5-4-6-17(18)20(24)21-12-14-25-2/h3-11H,1,12-14H2,2H3,(H,21,24)(H,22,23)
InChIKeyIVULKWNDEWEWIL-UHFFFAOYSA-N
XLogP2.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17148342
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
CID 46461330
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (CID 40742879) is N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The InChIKey is IVULKWNDEWEWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-13-26-16-10-8-15(9-11-16)19(23)22-18-7-5-4-6-17(18)20(24)21-12-14-25-2/h3-11H,1,12-14H2,2H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is sourced from PubChem (CID 40742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).