2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide

C14H21BrN2O3 — CID 82970493

IUPAC2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(Br)cc1C(C)O
InChIInChI=1S/C14H21BrN2O3/c1-10(18)12-8-11(15)4-5-13(12)17(2)9-14(19)16-6-7-20-3/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyKILQXKBUZFPMQB-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.70
Rot. Bonds7

About 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide

2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide (PubChem CID 82970493) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
PubChem CID82970493
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(Br)cc1C(C)O
InChIInChI=1S/C14H21BrN2O3/c1-10(18)12-8-11(15)4-5-13(12)17(2)9-14(19)16-6-7-20-3/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyKILQXKBUZFPMQB-UHFFFAOYSA-N
XLogP1.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 78940287
2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 63371318
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propylacetamide
CID 55133240
1-[4-bromo-2-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 82971014
2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
CID 114890848
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 24508374
1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
CID 82970441
1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 82969825
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
CID 82971357

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide (CID 82970493) is 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1ccc(Br)cc1C(C)O.
What is the InChIKey of 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is KILQXKBUZFPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-10(18)12-8-11(15)4-5-13(12)17(2)9-14(19)16-6-7-20-3/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide?
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 345.24 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82970493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).