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

C21H25N3O3 — CID 54824294

IUPAC3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NCCC)c1
InChIInChI=1S/C21H25N3O3/c1-3-12-22-21(26)16-8-7-9-17(14-16)24-20(25)15-23-18-10-5-6-11-19(18)27-13-4-2/h4-11,14,23H,2-3,12-13,15H2,1H3,(H,22,26)(H,24,25)
InChIKeyQJIANPAWCJKIKB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.44
Rot. Bonds10

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

3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54824294) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54824294
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NCCC)c1
InChIInChI=1S/C21H25N3O3/c1-3-12-22-21(26)16-8-7-9-17(14-16)24-20(25)15-23-18-10-5-6-11-19(18)27-13-4-2/h4-11,14,23H,2-3,12-13,15H2,1H3,(H,22,26)(H,24,25)
InChIKeyQJIANPAWCJKIKB-UHFFFAOYSA-N
XLogP3.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide (CID 54824294) is 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide is C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NCCC)c1.
What is the InChIKey of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is QJIANPAWCJKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-12-22-21(26)16-8-7-9-17(14-16)24-20(25)15-23-18-10-5-6-11-19(18)27-13-4-2/h4-11,14,23H,2-3,12-13,15H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide?
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54824294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).