N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide

C13H18BrNO3 — CID 115178909

IUPACN-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)O)cc1Br
InChIInChI=1S/C13H18BrNO3/c1-13(2,17)12(16)15-7-6-9-4-5-11(18-3)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H,15,16)
InChIKeyOGSOSUQPUCLOLD-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide (PubChem CID 115178909) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
PubChem CID115178909
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)O)cc1Br
InChIInChI=1S/C13H18BrNO3/c1-13(2,17)12(16)15-7-6-9-4-5-11(18-3)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H,15,16)
InChIKeyOGSOSUQPUCLOLD-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 115155049
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-butylurea
CID 3781568
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
(2E)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanamide
CID 10552935
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158303
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 3669367
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide (CID 115178909) is N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide is COc1ccc(CCNC(=O)C(C)(C)O)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is OGSOSUQPUCLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-13(2,17)12(16)15-7-6-9-4-5-11(18-3)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide?
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 316.20 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 115178909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).