3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide

C12H17BrN2O2 — CID 115153548

IUPAC3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C(C)CN
InChIInChI=1S/C12H17BrN2O2/c1-8(7-14)12(16)15(2)10-6-9(13)4-5-11(10)17-3/h4-6,8H,7,14H2,1-3H3
InChIKeyKMXNAMVDIJXBMJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide

3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide (PubChem CID 115153548) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
PubChem CID115153548
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C(C)CN
InChIInChI=1S/C12H17BrN2O2/c1-8(7-14)12(16)15(2)10-6-9(13)4-5-11(10)17-3/h4-6,8H,7,14H2,1-3H3
InChIKeyKMXNAMVDIJXBMJ-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
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N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
CID 115162399
N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167730
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487
3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163982

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide (CID 115153548) is 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide is COc1ccc(Br)cc1N(C)C(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide?
The InChIKey is KMXNAMVDIJXBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(7-14)12(16)15(2)10-6-9(13)4-5-11(10)17-3/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide?
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide has a molecular weight of 301.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 115153548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).