2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride

C13H20BrClN2O3 — CID 119301241

IUPAC2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(OC)c(OC)cc1Br.Cl
InChIInChI=1S/C13H19BrN2O3.ClH/c1-4-5-9(15)13(17)16-10-7-12(19-3)11(18-2)6-8(10)14;/h6-7,9H,4-5,15H2,1-3H3,(H,16,17);1H
InChIKeyBAUSSNCCVHFIMN-UHFFFAOYSA-N
MW367.67 g/mol
LogP2.95
Rot. Bonds6

About 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride

2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride (PubChem CID 119301241) has the molecular formula C13H20BrClN2O3 and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
PubChem CID119301241
Molecular FormulaC13H20BrClN2O3
Molecular Weight367.67 g/mol
Exact Mass366.03
IUPAC Name2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(OC)c(OC)cc1Br.Cl
InChIInChI=1S/C13H19BrN2O3.ClH/c1-4-5-9(15)13(17)16-10-7-12(19-3)11(18-2)6-8(10)14;/h6-7,9H,4-5,15H2,1-3H3,(H,16,17);1H
InChIKeyBAUSSNCCVHFIMN-UHFFFAOYSA-N
XLogP2.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-4-methylsulfanylbutanamide
CID 103413900
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
CID 119316740
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
3-[[(2R)-2-aminopentanoyl]amino]-4-bromobenzoic acid
CID 114003951
4-[[(2S)-2-aminopentanoyl]amino]-3-bromobenzoic acid
CID 113342221
2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 104815294
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 107570599

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride (CID 119301241) is 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1cc(OC)c(OC)cc1Br.Cl.
What is the InChIKey of 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride?
The InChIKey is BAUSSNCCVHFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3.ClH/c1-4-5-9(15)13(17)16-10-7-12(19-3)11(18-2)6-8(10)14;/h6-7,9H,4-5,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride?
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride has a molecular weight of 367.67 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119301241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).