N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide

C21H25N3O4 — CID 54826584

IUPACN-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)c1
InChIInChI=1S/C21H25N3O4/c1-3-11-28-19-9-5-7-17(14-19)23-15-20(25)24-18-8-4-6-16(13-18)21(26)22-10-12-27-2/h3-9,13-14,23H,1,10-12,15H2,2H3,(H,22,26)(H,24,25)
InChIKeyFBKFMJINECDBPX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.68
Rot. Bonds11

About N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide (PubChem CID 54826584) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
PubChem CID54826584
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)c1
InChIInChI=1S/C21H25N3O4/c1-3-11-28-19-9-5-7-17(14-19)23-15-20(25)24-18-8-4-6-16(13-18)21(26)22-10-12-27-2/h3-9,13-14,23H,1,10-12,15H2,2H3,(H,22,26)(H,24,25)
InChIKeyFBKFMJINECDBPX-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-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54836232
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide (CID 54826584) is N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide is C=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide?
The InChIKey is FBKFMJINECDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-11-28-19-9-5-7-17(14-19)23-15-20(25)24-18-8-4-6-16(13-18)21(26)22-10-12-27-2/h3-9,13-14,23H,1,10-12,15H2,2H3,(H,22,26)(H,24,25).
What are the key properties of N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]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-(3-prop-2-enoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54826584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).