3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide

C16H25BrN2O — CID 104867337

IUPAC3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
SMILESC[C@@H](NC(=O)CC(N)CC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(13-7-5-6-8-14(13)17)19-15(20)9-12(18)10-16(2,3)4/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)/t11-,12?/m1/s1
InChIKeyMVQYRNJSOZCGTM-JHJMLUEUSA-N
MW341.29 g/mol
LogP3.78
Rot. Bonds5

About 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide

3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide (PubChem CID 104867337) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
PubChem CID104867337
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
SMILESC[C@@H](NC(=O)CC(N)CC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(13-7-5-6-8-14(13)17)19-15(20)9-12(18)10-16(2,3)4/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)/t11-,12?/m1/s1
InChIKeyMVQYRNJSOZCGTM-JHJMLUEUSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867319
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
4-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81379321
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
(2S)-2-amino-N-[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963456
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
CID 107625116
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide (CID 104867337) is 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide is C[C@@H](NC(=O)CC(N)CC(C)(C)C)c1ccccc1Br.
What is the InChIKey of 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide?
The InChIKey is MVQYRNJSOZCGTM-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(13-7-5-6-8-14(13)17)19-15(20)9-12(18)10-16(2,3)4/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)/t11-,12?/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide?
3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide has a molecular weight of 341.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 104867337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).