2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide

C14H21BrN2O2 — CID 54942215

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-3-4-7-17(10-14(16)18)9-11-5-6-13(19-2)12(15)8-11/h5-6,8H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyNKTVPRQHBGPRJI-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.55
Rot. Bonds8

About 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide

2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide (PubChem CID 54942215) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
PubChem CID54942215
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-3-4-7-17(10-14(16)18)9-11-5-6-13(19-2)12(15)8-11/h5-6,8H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyNKTVPRQHBGPRJI-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389227
2-[butyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]amino]acetamide
CID 82959006
2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
CID 107740264
N'-[(3-bromo-4-methoxyphenyl)methyl]-N'-[(4-chlorophenyl)methyl]propane-1,3-diamine
CID 23995882
methyl 4-[[(2-amino-2-oxoethyl)-butylamino]methyl]-3-bromobenzoate
CID 102767418
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
CID 105351844
2-[(3-bromo-2,6-difluorophenyl)methyl-butylamino]acetamide
CID 106268829
2-[(4-amino-3-nitrophenyl)methyl-butylamino]acetamide
CID 62184585
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
N-(2-bromoethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 80672187

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide (CID 54942215) is 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide is CCCCN(CC(N)=O)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide?
The InChIKey is NKTVPRQHBGPRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-4-7-17(10-14(16)18)9-11-5-6-13(19-2)12(15)8-11/h5-6,8H,3-4,7,9-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide?
2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide is sourced from PubChem (CID 54942215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).