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

C21H25N3O3 — CID 54824529

IUPACN-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-4-12-27-19-11-6-5-10-18(19)22-14-20(25)24-17-9-7-8-16(13-17)21(26)23-15(2)3/h4-11,13,15,22H,1,12,14H2,2-3H3,(H,23,26)(H,24,25)
InChIKeyZQJMUNHBIPNHJF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.44
Rot. Bonds9

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

N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (PubChem CID 54824529) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
PubChem CID54824529
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-4-12-27-19-11-6-5-10-18(19)22-14-20(25)24-17-9-7-8-16(13-17)21(26)23-15(2)3/h4-11,13,15,22H,1,12,14H2,2-3H3,(H,23,26)(H,24,25)
InChIKeyZQJMUNHBIPNHJF-UHFFFAOYSA-N
XLogP3.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54824294
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (CID 54824529) is N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The InChIKey is ZQJMUNHBIPNHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-12-27-19-11-6-5-10-18(19)22-14-20(25)24-17-9-7-8-16(13-17)21(26)23-15(2)3/h4-11,13,15,22H,1,12,14H2,2-3H3,(H,23,26)(H,24,25).
What are the key properties of N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54824529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).