3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide

C15H20N2O2 — CID 134057626

IUPAC3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-5-9-16-13(18)11-7-6-8-12(10-11)17-14(19)15(2,3)4/h5-8,10H,1,9H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyZVPZHFHKNKHJMT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide

3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide (PubChem CID 134057626) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
PubChem CID134057626
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-5-9-16-13(18)11-7-6-8-12(10-11)17-14(19)15(2,3)4/h5-8,10H,1,9H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyZVPZHFHKNKHJMT-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
N-tert-butyl-3-(prop-2-enylcarbamothioylamino)benzamide
CID 28639567
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide (CID 134057626) is 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide?
The InChIKey is ZVPZHFHKNKHJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-9-16-13(18)11-7-6-8-12(10-11)17-14(19)15(2,3)4/h5-8,10H,1,9H2,2-4H3,(H,16,18)(H,17,19).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide?
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 134057626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).