5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide

C12H17BrN2O2 — CID 82688311

IUPAC5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc(Br)ccc1O
InChIInChI=1S/C12H17BrN2O2/c1-8(7-14)2-5-12(17)15-10-6-9(13)3-4-11(10)16/h3-4,6,8,16H,2,5,7,14H2,1H3,(H,15,17)
InChIKeyPDPMSPRYHUTAKE-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide

5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide (PubChem CID 82688311) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
PubChem CID82688311
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc(Br)ccc1O
InChIInChI=1S/C12H17BrN2O2/c1-8(7-14)2-5-12(17)15-10-6-9(13)3-4-11(10)16/h3-4,6,8,16H,2,5,7,14H2,1H3,(H,15,17)
InChIKeyPDPMSPRYHUTAKE-UHFFFAOYSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-4-methylpentanoyl)amino]-4-bromobenzoic acid
CID 82012029
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide
CID 167793824
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
3-[(6-amino-4-methylhexanoyl)amino]-4-hydroxybenzoic acid
CID 107265243
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide (CID 82688311) is 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide is CC(CN)CCC(=O)Nc1cc(Br)ccc1O.
What is the InChIKey of 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide?
The InChIKey is PDPMSPRYHUTAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(7-14)2-5-12(17)15-10-6-9(13)3-4-11(10)16/h3-4,6,8,16H,2,5,7,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide?
5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide has a molecular weight of 301.18 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 82688311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).