2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide

C14H21BrN2O2 — CID 55132276

IUPAC2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(C(C)O)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-9(2)16-14(19)8-17(4)13-6-5-11(10(3)18)7-12(13)15/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyOJJMFIIZJDDEMD-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide

2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide (PubChem CID 55132276) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
PubChem CID55132276
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(C(C)O)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-9(2)16-14(19)8-17(4)13-6-5-11(10(3)18)7-12(13)15/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyOJJMFIIZJDDEMD-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propan-2-ylacetamide
CID 78940649
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propylacetamide
CID 55133240
3-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-methylpropanamide
CID 106916319
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
2-[2-bromo-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940265
(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
CID 63372756
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
1-[3-bromo-4-[cyclobutylmethyl(methyl)amino]phenyl]ethanol
CID 62912014
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide (CID 55132276) is 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1ccc(C(C)O)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide?
The InChIKey is OJJMFIIZJDDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9(2)16-14(19)8-17(4)13-6-5-11(10(3)18)7-12(13)15/h5-7,9-10,18H,8H2,1-4H3,(H,16,19).
What are the key properties of 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide?
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide has a molecular weight of 329.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55132276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).