N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide

C21H25N3O4 — CID 54836232

IUPACN-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-3-12-28-19-9-7-17(8-10-19)24-20(25)15-23-18-6-4-5-16(14-18)21(26)22-11-13-27-2/h3-10,14,23H,1,11-13,15H2,2H3,(H,22,26)(H,24,25)
InChIKeyCZITUYDHSAKDIG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.68
Rot. Bonds11

About N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide (PubChem CID 54836232) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
PubChem CID54836232
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-3-12-28-19-9-7-17(8-10-19)24-20(25)15-23-18-6-4-5-16(14-18)21(26)22-11-13-27-2/h3-10,14,23H,1,11-13,15H2,2H3,(H,22,26)(H,24,25)
InChIKeyCZITUYDHSAKDIG-UHFFFAOYSA-N
XLogP2.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide (CID 54836232) is N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide is C=CCOc1ccc(NC(=O)CNc2cccc(C(=O)NCCOC)c2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
The InChIKey is CZITUYDHSAKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-12-28-19-9-7-17(8-10-19)24-20(25)15-23-18-6-4-5-16(14-18)21(26)22-11-13-27-2/h3-10,14,23H,1,11-13,15H2,2H3,(H,22,26)(H,24,25).
What are the key properties of N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.68, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54836232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).