N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide

C13H19BrN2O2 — CID 31994430

IUPACN-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H19BrN2O2/c1-3-16(6-7-17)9-13(18)15-12-5-4-11(14)8-10(12)2/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyQDUPXKOEEJNYNI-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.01
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 31994430) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
PubChem CID31994430
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H19BrN2O2/c1-3-16(6-7-17)9-13(18)15-12-5-4-11(14)8-10(12)2/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyQDUPXKOEEJNYNI-UHFFFAOYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018457
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 114231146
2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 55437048
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
CID 61444232
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide (CID 31994430) is N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide is CCN(CCO)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is QDUPXKOEEJNYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-16(6-7-17)9-13(18)15-12-5-4-11(14)8-10(12)2/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 315.21 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 31994430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).