3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

C15H22BrNO2 — CID 111596500

IUPAC3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c1-4-17(11-15(2,3)19)14(18)10-9-12-7-5-6-8-13(12)16/h5-8,19H,4,9-11H2,1-3H3
InChIKeyQESKDRPWVLLBQR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.00
Rot. Bonds6

About 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 111596500) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID111596500
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c1-4-17(11-15(2,3)19)14(18)10-9-12-7-5-6-8-13(12)16/h5-8,19H,4,9-11H2,1-3H3
InChIKeyQESKDRPWVLLBQR-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 79381674
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377688
3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79385637
N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 78964341
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79381435
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide
CID 111596489
2-[3-(2-bromophenyl)propanoyl-butan-2-ylamino]acetic acid
CID 119954973

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 111596500) is 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is QESKDRPWVLLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-4-17(11-15(2,3)19)14(18)10-9-12-7-5-6-8-13(12)16/h5-8,19H,4,9-11H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 328.25 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 111596500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).