2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide

C13H17BrN2O — CID 84591607

IUPAC2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide
SMILESC=C(Br)CNC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H17BrN2O/c1-10(14)9-15-13(2,3)12(17)16-11-7-5-4-6-8-11/h4-8,15H,1,9H2,2-3H3,(H,16,17)
InChIKeyAVTRFMLCBXOZMX-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide

2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide (PubChem CID 84591607) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide
PubChem CID84591607
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide
SMILESC=C(Br)CNC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H17BrN2O/c1-10(14)9-15-13(2,3)12(17)16-11-7-5-4-6-8-11/h4-8,15H,1,9H2,2-3H3,(H,16,17)
InChIKeyAVTRFMLCBXOZMX-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
N-(2-bromoprop-2-enyl)aniline;hydrochloride
CID 45127902
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
2-methyl-2-(methylamino)-N-(4-phenylphenyl)propanamide
CID 62836926
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
2,2-dibromo-N-phenylnonanamide
CID 59766487

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide (CID 84591607) is 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide is C=C(Br)CNC(C)(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide?
The InChIKey is AVTRFMLCBXOZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-10(14)9-15-13(2,3)12(17)16-11-7-5-4-6-8-11/h4-8,15H,1,9H2,2-3H3,(H,16,17).
What are the key properties of 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide?
2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide has a molecular weight of 297.20 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 84591607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).