N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide

C12H17BrN2O2 — CID 99826578

IUPACN-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide
SMILESCOc1cc(C)c(Br)cc1NC(=O)CN(C)C
InChIInChI=1S/C12H17BrN2O2/c1-8-5-11(17-4)10(6-9(8)13)14-12(16)7-15(2)3/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyLWFUSUUEDPSXPA-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.27
Rot. Bonds4

About N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide

N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide (PubChem CID 99826578) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide
PubChem CID99826578
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide
SMILESCOc1cc(C)c(Br)cc1NC(=O)CN(C)C
InChIInChI=1S/C12H17BrN2O2/c1-8-5-11(17-4)10(6-9(8)13)14-12(16)7-15(2)3/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyLWFUSUUEDPSXPA-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide (CID 99826578) is N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide is COc1cc(C)c(Br)cc1NC(=O)CN(C)C.
What is the InChIKey of N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide?
The InChIKey is LWFUSUUEDPSXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-5-11(17-4)10(6-9(8)13)14-12(16)7-15(2)3/h5-6H,7H2,1-4H3,(H,14,16).
What are the key properties of N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide?
N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide has a molecular weight of 301.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 99826578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).