4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide

C19H27N3O2 — CID 54834492

IUPAC4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
SMILESC=CCN(CC=C)C(=O)CNc1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C19H27N3O2/c1-5-12-22(13-6-2)18(23)14-20-17-10-8-16(9-11-17)19(24)21-15(4)7-3/h5-6,8-11,15,20H,1-2,7,12-14H2,3-4H3,(H,21,24)
InChIKeyOIGNFYGTGLUEPA-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.83
Rot. Bonds10

About 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide

4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide (PubChem CID 54834492) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
PubChem CID54834492
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
SMILESC=CCN(CC=C)C(=O)CNc1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C19H27N3O2/c1-5-12-22(13-6-2)18(23)14-20-17-10-8-16(9-11-17)19(24)21-15(4)7-3/h5-6,8-11,15,20H,1-2,7,12-14H2,3-4H3,(H,21,24)
InChIKeyOIGNFYGTGLUEPA-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54834615
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834855
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840232
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834741
N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
(E)-4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17201190
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide (CID 54834492) is 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide is C=CCN(CC=C)C(=O)CNc1ccc(C(=O)NC(C)CC)cc1.
What is the InChIKey of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide?
The InChIKey is OIGNFYGTGLUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-12-22(13-6-2)18(23)14-20-17-10-8-16(9-11-17)19(24)21-15(4)7-3/h5-6,8-11,15,20H,1-2,7,12-14H2,3-4H3,(H,21,24).
What are the key properties of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide?
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide is sourced from PubChem (CID 54834492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).