3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide

C14H21BrN2O2 — CID 115153147

IUPAC3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(Br)cc1C(C)(C)CNC(=O)CCN
InChIInChI=1S/C14H21BrN2O2/c1-14(2,9-17-13(18)6-7-16)11-8-10(15)4-5-12(11)19-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyYRJQXKUXPRNGSS-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.20
Rot. Bonds6

About 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide

3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 115153147) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
PubChem CID115153147
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(Br)cc1C(C)(C)CNC(=O)CCN
InChIInChI=1S/C14H21BrN2O2/c1-14(2,9-17-13(18)6-7-16)11-8-10(15)4-5-12(11)19-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyYRJQXKUXPRNGSS-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257132
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide
CID 115168146
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
CID 82306729
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide (CID 115153147) is 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide is COc1ccc(Br)cc1C(C)(C)CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is YRJQXKUXPRNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,9-17-13(18)6-7-16)11-8-10(15)4-5-12(11)19-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide?
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 329.24 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 115153147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).