3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide

C15H19BrN2O2 — CID 113115678

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc(Br)cc1C)C(C)=O
InChIInChI=1S/C15H19BrN2O2/c1-4-8-18(12(3)19)9-7-15(20)17-14-6-5-13(16)10-11(14)2/h4-6,10H,1,7-9H2,2-3H3,(H,17,20)
InChIKeyVNZDXBXRSAUMAV-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.12
Rot. Bonds6

About 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide (PubChem CID 113115678) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
PubChem CID113115678
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc(Br)cc1C)C(C)=O
InChIInChI=1S/C15H19BrN2O2/c1-4-8-18(12(3)19)9-7-15(20)17-14-6-5-13(16)10-11(14)2/h4-6,10H,1,7-9H2,2-3H3,(H,17,20)
InChIKeyVNZDXBXRSAUMAV-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113117035
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113115709
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158975
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide (CID 113115678) is 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide is C=CCN(CCC(=O)Nc1ccc(Br)cc1C)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The InChIKey is VNZDXBXRSAUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-8-18(12(3)19)9-7-15(20)17-14-6-5-13(16)10-11(14)2/h4-6,10H,1,7-9H2,2-3H3,(H,17,20).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide has a molecular weight of 339.23 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 113115678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).