N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride

C15H24BrClN2O — CID 119607381

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-11(2)15(3,10-17)18-14(19)8-7-12-5-4-6-13(16)9-12;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,18,19);1H
InChIKeyYBGZQGCOIDBFTP-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.29
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride (PubChem CID 119607381) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride
PubChem CID119607381
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-11(2)15(3,10-17)18-14(19)8-7-12-5-4-6-13(16)9-12;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,18,19);1H
InChIKeyYBGZQGCOIDBFTP-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119607578
3-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoic acid
CID 64671922
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119606815
methyl 2-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoate
CID 43404120
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119606176
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride (CID 119607381) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CCc1cccc(Br)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride?
The InChIKey is YBGZQGCOIDBFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-11(2)15(3,10-17)18-14(19)8-7-12-5-4-6-13(16)9-12;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119607381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).