4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide

C16H24N2O — CID 55156001

IUPAC4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCCC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-5-11-18-15(19)13-6-8-14(9-7-13)17-12-10-16(2,3)4/h5-9,17H,1,10-12H2,2-4H3,(H,18,19)
InChIKeyDASXNKDZIWCUHV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.45
Rot. Bonds6

About 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide

4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide (PubChem CID 55156001) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
PubChem CID55156001
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCCC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-5-11-18-15(19)13-6-8-14(9-7-13)17-12-10-16(2,3)4/h5-9,17H,1,10-12H2,2-4H3,(H,18,19)
InChIKeyDASXNKDZIWCUHV-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,3-dimethylbutylamino)-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-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
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
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide (CID 55156001) is 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NCCC(C)(C)C)cc1.
What is the InChIKey of 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide?
The InChIKey is DASXNKDZIWCUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-11-18-15(19)13-6-8-14(9-7-13)17-12-10-16(2,3)4/h5-9,17H,1,10-12H2,2-4H3,(H,18,19).
What are the key properties of 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide?
4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 55156001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).