4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide

C16H23N3O2 — CID 62853093

IUPAC4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(C)CNCC)cc1
InChIInChI=1S/C16H23N3O2/c1-4-10-18-16(21)13-6-8-14(9-7-13)19-15(20)12(3)11-17-5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,18,21)(H,19,20)
InChIKeyMHWDPRLNJSKRTG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds8

About 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide

4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 62853093) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
PubChem CID62853093
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(C)CNCC)cc1
InChIInChI=1S/C16H23N3O2/c1-4-10-18-16(21)13-6-8-14(9-7-13)19-15(20)12(3)11-17-5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,18,21)(H,19,20)
InChIKeyMHWDPRLNJSKRTG-UHFFFAOYSA-N
XLogP1.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide 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-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-prop-2-enylbenzamide
CID 65230297
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-formamido-N-prop-2-enylbenzamide
CID 64992358
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
N-ethyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169590
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
CID 62854007
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
CID 61062671
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide (CID 62853093) is 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)C(C)CNCC)cc1.
What is the InChIKey of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is MHWDPRLNJSKRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-10-18-16(21)13-6-8-14(9-7-13)19-15(20)12(3)11-17-5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide?
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 62853093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).