N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide

C14H20BrNO2 — CID 60628271

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)13(17)16(4)9-10-8-11(15)6-7-12(10)18-5/h6-8H,9H2,1-5H3
InChIKeyMMAUSQKQASCFDK-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.46
Rot. Bonds3

About N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 60628271) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
PubChem CID60628271
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)13(17)16(4)9-10-8-11(15)6-7-12(10)18-5/h6-8H,9H2,1-5H3
InChIKeyMMAUSQKQASCFDK-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 60936876
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide (CID 60628271) is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide is COc1ccc(Br)cc1CN(C)C(=O)C(C)(C)C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is MMAUSQKQASCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,3)13(17)16(4)9-10-8-11(15)6-7-12(10)18-5/h6-8H,9H2,1-5H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 314.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 60628271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).