2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide

C15H22BrNO3 — CID 110022275

IUPAC2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCOCCO)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,12-5-3-6-13(16)11-12)14(19)17-7-4-9-20-10-8-18/h3,5-6,11,18H,4,7-10H2,1-2H3,(H,17,19)
InChIKeyQDXCTHFZJPVHBJ-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.24
Rot. Bonds8

About 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide

2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide (PubChem CID 110022275) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide
PubChem CID110022275
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCOCCO)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,12-5-3-6-13(16)11-12)14(19)17-7-4-9-20-10-8-18/h3,5-6,11,18H,4,7-10H2,1-2H3,(H,17,19)
InChIKeyQDXCTHFZJPVHBJ-UHFFFAOYSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide 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

2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 56823325
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120652269
2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643
2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide
CID 166323733
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
CID 127122247
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71848431
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198021

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide?
The IUPAC name of 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide (CID 110022275) is 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide is CC(C)(C(=O)NCCCOCCO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide?
The InChIKey is QDXCTHFZJPVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,12-5-3-6-13(16)11-12)14(19)17-7-4-9-20-10-8-18/h3,5-6,11,18H,4,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide?
2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide has a molecular weight of 344.25 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide is sourced from PubChem (CID 110022275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).