N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide

C15H21BrN2O2 — CID 75505353

IUPACN-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNC1CCOC1C
InChIInChI=1S/C15H21BrN2O2/c1-10-9-12(16)3-4-13(10)18-15(19)5-7-17-14-6-8-20-11(14)2/h3-4,9,11,14,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyPFBWLRKXSZGQSQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.85
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide

N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide (PubChem CID 75505353) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide
PubChem CID75505353
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNC1CCOC1C
InChIInChI=1S/C15H21BrN2O2/c1-10-9-12(16)3-4-13(10)18-15(19)5-7-17-14-6-8-20-11(14)2/h3-4,9,11,14,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyPFBWLRKXSZGQSQ-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide (CID 75505353) is N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide is Cc1cc(Br)ccc1NC(=O)CCNC1CCOC1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide?
The InChIKey is PFBWLRKXSZGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-9-12(16)3-4-13(10)18-15(19)5-7-17-14-6-8-20-11(14)2/h3-4,9,11,14,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide?
N-(4-bromo-2-methylphenyl)-3-[(2-methyloxolan-3-yl)amino]propanamide has a molecular weight of 341.25 g/mol, XLogP of 2.85, 5 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)-3-[(2-methyloxolan-3-yl)amino]propanamide is sourced from PubChem (CID 75505353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).