5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide

C14H21BrN2O3 — CID 62941461

IUPAC5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide
SMILESCOc1cc(Br)c(C(N)CC(C)CC(N)=O)cc1OC
InChIInChI=1S/C14H21BrN2O3/c1-8(5-14(17)18)4-11(16)9-6-12(19-2)13(20-3)7-10(9)15/h6-8,11H,4-5,16H2,1-3H3,(H2,17,18)
InChIKeyCHJZYAYCVNPMRL-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.37
Rot. Bonds7

About 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide

5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide (PubChem CID 62941461) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide
PubChem CID62941461
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide
SMILESCOc1cc(Br)c(C(N)CC(C)CC(N)=O)cc1OC
InChIInChI=1S/C14H21BrN2O3/c1-8(5-14(17)18)4-11(16)9-6-12(19-2)13(20-3)7-10(9)15/h6-8,11H,4-5,16H2,1-3H3,(H2,17,18)
InChIKeyCHJZYAYCVNPMRL-UHFFFAOYSA-N
XLogP2.37
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
5-amino-5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62942200
5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
CID 62941286
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
CID 62941644
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(1R)-1-(2-bromo-4,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171198881
ethyl (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)propanoate;hydrochloride
CID 171214738

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide?
The IUPAC name of 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide (CID 62941461) is 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide?
The canonical SMILES for 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide is COc1cc(Br)c(C(N)CC(C)CC(N)=O)cc1OC.
What is the InChIKey of 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide?
The InChIKey is CHJZYAYCVNPMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-8(5-14(17)18)4-11(16)9-6-12(19-2)13(20-3)7-10(9)15/h6-8,11H,4-5,16H2,1-3H3,(H2,17,18).
What are the key properties of 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide?
5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide has a molecular weight of 345.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 62941461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).