2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide

C14H21BrN2O3 — CID 43224154

IUPAC2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(Br)c(CNCC(=O)NC(C)C)cc1OC
InChIInChI=1S/C14H21BrN2O3/c1-9(2)17-14(18)8-16-7-10-5-12(19-3)13(20-4)6-11(10)15/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyUXSNEMFPFHXOLY-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.08
Rot. Bonds7

About 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide

2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 43224154) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
PubChem CID43224154
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(Br)c(CNCC(=O)NC(C)C)cc1OC
InChIInChI=1S/C14H21BrN2O3/c1-9(2)17-14(18)8-16-7-10-5-12(19-3)13(20-4)6-11(10)15/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyUXSNEMFPFHXOLY-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224145
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
(4-bromo-2,5-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913241
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604445
2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8582246
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide (CID 43224154) is 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide is COc1cc(Br)c(CNCC(=O)NC(C)C)cc1OC.
What is the InChIKey of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is UXSNEMFPFHXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-9(2)17-14(18)8-16-7-10-5-12(19-3)13(20-4)6-11(10)15/h5-6,9,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 345.24 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43224154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).