3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride

C15H23BrClN3O2 — CID 119524471

IUPAC3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(C)(C)CN)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-10(20)18-13(11-4-6-12(16)7-5-11)8-14(21)19-15(2,3)9-17;/h4-7,13H,8-9,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyAJPIDWJVSFLBNO-UHFFFAOYSA-N
MW392.73 g/mol
LogP2.29
Rot. Bonds6

About 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride

3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride (PubChem CID 119524471) has the molecular formula C15H23BrClN3O2 and a molecular weight of 392.73 g/mol. Its IUPAC name is 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
PubChem CID119524471
Molecular FormulaC15H23BrClN3O2
Molecular Weight392.73 g/mol
Exact Mass391.07
IUPAC Name3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(C)(C)CN)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-10(20)18-13(11-4-6-12(16)7-5-11)8-14(21)19-15(2,3)9-17;/h4-7,13H,8-9,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyAJPIDWJVSFLBNO-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278
3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119571395
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119574768
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 119598759
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 119574769
3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
CID 112773016
(2R)-2-[[3-acetamido-3-(4-bromophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119363861
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride (CID 119524471) is 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NC(C)(C)CN)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
The InChIKey is AJPIDWJVSFLBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.ClH/c1-10(20)18-13(11-4-6-12(16)7-5-11)8-14(21)19-15(2,3)9-17;/h4-7,13H,8-9,17H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride has a molecular weight of 392.73 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119524471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).