3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide

C15H23BrN2O — CID 107625116

IUPAC3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
SMILESCc1c(Br)cccc1NC(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10-12(16)6-5-7-13(10)18-14(19)8-11(17)9-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyGPXRSKYMNUKDSZ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.85
Rot. Bonds4

About 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide

3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide (PubChem CID 107625116) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
PubChem CID107625116
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
SMILESCc1c(Br)cccc1NC(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10-12(16)6-5-7-13(10)18-14(19)8-11(17)9-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyGPXRSKYMNUKDSZ-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-amino-5,5-dimethylhexanoyl)amino]-4-bromobenzoic acid
CID 107813538
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867337
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
1-(3-bromo-2-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474479
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733456
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide (CID 107625116) is 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide is Cc1c(Br)cccc1NC(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide?
The InChIKey is GPXRSKYMNUKDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10-12(16)6-5-7-13(10)18-14(19)8-11(17)9-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide?
3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide has a molecular weight of 327.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 107625116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).