4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide

C23H27N3O2 — CID 54817927

IUPAC4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-4-16-25(17-5-2)18-22(27)24-20-14-12-19(13-15-20)23(28)26(6-3)21-10-8-7-9-11-21/h4-5,7-15H,1-2,6,16-18H2,3H3,(H,24,27)
InChIKeyOHDWGRGNRKVRFJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.97
Rot. Bonds10

About 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide

4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54817927) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54817927
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-4-16-25(17-5-2)18-22(27)24-20-14-12-19(13-15-20)23(28)26(6-3)21-10-8-7-9-11-21/h4-5,7-15H,1-2,6,16-18H2,3H3,(H,24,27)
InChIKeyOHDWGRGNRKVRFJ-UHFFFAOYSA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
N-ethyl-N-phenyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824329
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 54817927) is 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide is C=CCN(CC=C)CC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is OHDWGRGNRKVRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-16-25(17-5-2)18-22(27)24-20-14-12-19(13-15-20)23(28)26(6-3)21-10-8-7-9-11-21/h4-5,7-15H,1-2,6,16-18H2,3H3,(H,24,27).
What are the key properties of 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54817927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).