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

C14H19N3O2 — CID 61267193

IUPAC4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(C)(C)N)cc1
InChIInChI=1S/C14H19N3O2/c1-4-9-16-12(18)10-5-7-11(8-6-10)17-13(19)14(2,3)15/h4-8H,1,9,15H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyJKMNCCSMKNBEHK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.28
Rot. Bonds5

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

4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide (PubChem CID 61267193) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
PubChem CID61267193
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(C)(C)N)cc1
InChIInChI=1S/C14H19N3O2/c1-4-9-16-12(18)10-5-7-11(8-6-10)17-13(19)14(2,3)15/h4-8H,1,9,15H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyJKMNCCSMKNBEHK-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
CID 55156001
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
4-formamido-N-prop-2-enylbenzamide
CID 64992358
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
3-cyclohexyl-3-methyl-4-oxo-4-[4-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 119107635
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide (CID 61267193) is 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)C(C)(C)N)cc1.
What is the InChIKey of 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is JKMNCCSMKNBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-9-16-12(18)10-5-7-11(8-6-10)17-13(19)14(2,3)15/h4-8H,1,9,15H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide?
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 261.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 61267193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).