2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide

C13H19BrN2O2 — CID 115443247

IUPAC2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-4-5-11(15)13(17)16-9-6-7-10(14)12(8-9)18-2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyWAZPIOVCAYJZCI-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.91
Rot. Bonds6

About 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide

2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide (PubChem CID 115443247) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
PubChem CID115443247
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-4-5-11(15)13(17)16-9-6-7-10(14)12(8-9)18-2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyWAZPIOVCAYJZCI-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(4-bromo-3-methoxyanilino)-5-oxopentanoic acid
CID 82867308
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide?
The IUPAC name of 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide (CID 115443247) is 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide is CCCCC(N)C(=O)Nc1ccc(Br)c(OC)c1.
What is the InChIKey of 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide?
The InChIKey is WAZPIOVCAYJZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-4-5-11(15)13(17)16-9-6-7-10(14)12(8-9)18-2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide?
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide has a molecular weight of 315.21 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide is sourced from PubChem (CID 115443247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).