2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide

C14H21BrN2O2 — CID 54942779

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCOc1ccc(Br)cc1CN(CC(N)=O)CC(C)C
InChIInChI=1S/C14H21BrN2O2/c1-10(2)7-17(9-14(16)18)8-11-6-12(15)4-5-13(11)19-3/h4-6,10H,7-9H2,1-3H3,(H2,16,18)
InChIKeyKBVWTVFYXSEVEV-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.40
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide

2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 54942779) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID54942779
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCOc1ccc(Br)cc1CN(CC(N)=O)CC(C)C
InChIInChI=1S/C14H21BrN2O2/c1-10(2)7-17(9-14(16)18)8-11-6-12(15)4-5-13(11)19-3/h4-6,10H,7-9H2,1-3H3,(H2,16,18)
InChIKeyKBVWTVFYXSEVEV-UHFFFAOYSA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065906
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910382
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978692
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483242
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide (CID 54942779) is 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide is COc1ccc(Br)cc1CN(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is KBVWTVFYXSEVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)7-17(9-14(16)18)8-11-6-12(15)4-5-13(11)19-3/h4-6,10H,7-9H2,1-3H3,(H2,16,18).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 54942779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).