6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide

C16H25BrN2O — CID 81383775

IUPAC6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
SMILESC[C@@H](NC(=O)CCC(C)(C)CCN)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O/c1-12(13-6-4-5-7-14(13)17)19-15(20)8-9-16(2,3)10-11-18/h4-7,12H,8-11,18H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyLJGDIIBMMDGQDD-GFCCVEGCSA-N
MW341.29 g/mol
LogP3.78
Rot. Bonds7

About 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide

6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide (PubChem CID 81383775) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
PubChem CID81383775
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
SMILESC[C@@H](NC(=O)CCC(C)(C)CCN)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O/c1-12(13-6-4-5-7-14(13)17)19-15(20)8-9-16(2,3)10-11-18/h4-7,12H,8-11,18H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyLJGDIIBMMDGQDD-GFCCVEGCSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
CID 65290863
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680
3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867337
4-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81379321
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9220099
tert-butyl N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]carbamate
CID 51217500

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide (CID 81383775) is 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide is C[C@@H](NC(=O)CCC(C)(C)CCN)c1ccccc1Br.
What is the InChIKey of 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide?
The InChIKey is LJGDIIBMMDGQDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(13-6-4-5-7-14(13)17)19-15(20)8-9-16(2,3)10-11-18/h4-7,12H,8-11,18H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide?
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide has a molecular weight of 341.29 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 81383775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).