3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide

C16H25BrN2O — CID 104867319

IUPAC3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide
SMILESC[C@H](NC(=O)CC(N)CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-11(12-5-7-13(17)8-6-12)19-15(20)9-14(18)10-16(2,3)4/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)/t11-,14?/m0/s1
InChIKeySIJZUHGWRHBRKW-ZSOXZCCMSA-N
MW341.29 g/mol
LogP3.78
Rot. Bonds5

About 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide

3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide (PubChem CID 104867319) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide
PubChem CID104867319
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide
SMILESC[C@H](NC(=O)CC(N)CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-11(12-5-7-13(17)8-6-12)19-15(20)9-14(18)10-16(2,3)4/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)/t11-,14?/m0/s1
InChIKeySIJZUHGWRHBRKW-ZSOXZCCMSA-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

Analyze 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867337
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
CID 81359603
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
tert-butyl 4-[1-(4-bromophenyl)ethylamino]-4-oxobutanoate
CID 106707193
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
5-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81353966
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide (CID 104867319) is 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide is C[C@H](NC(=O)CC(N)CC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide?
The InChIKey is SIJZUHGWRHBRKW-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(12-5-7-13(17)8-6-12)19-15(20)9-14(18)10-16(2,3)4/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)/t11-,14?/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide?
3-amino-N-[(1S)-1-(4-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-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 104867319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).