N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide

C21H27N3O4 — CID 54822703

IUPACN-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1
InChIInChI=1S/C21H27N3O4/c1-3-13-28-19-10-8-17(9-11-19)23-15-20(25)24-18-6-4-16(5-7-18)21(26)22-12-14-27-2/h4-11,23H,3,12-15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyJMLSKXYWGDIQDD-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.90
Rot. Bonds11

About N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide (PubChem CID 54822703) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
PubChem CID54822703
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1
InChIInChI=1S/C21H27N3O4/c1-3-13-28-19-10-8-17(9-11-19)23-15-20(25)24-18-6-4-16(5-7-18)21(26)22-12-14-27-2/h4-11,23H,3,12-15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyJMLSKXYWGDIQDD-UHFFFAOYSA-N
XLogP2.90
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]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)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
propyl 4-[[2-[4-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54812704
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide (CID 54822703) is N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide is CCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
The InChIKey is JMLSKXYWGDIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-13-28-19-10-8-17(9-11-19)23-15-20(25)24-18-6-4-16(5-7-18)21(26)22-12-14-27-2/h4-11,23H,3,12-15H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.90, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54822703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).