N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide

C13H18BrNO2 — CID 113344955

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-3-8-17-9-13(16)15-10(2)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyHIEJZAZLBJIFGB-JTQLQIEISA-N
MW300.20 g/mol
LogP3.05
Rot. Bonds6

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide (PubChem CID 113344955) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
PubChem CID113344955
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-3-8-17-9-13(16)15-10(2)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyHIEJZAZLBJIFGB-JTQLQIEISA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide 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-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 16548375
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776785
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide (CID 113344955) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide is CCCOCC(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide?
The InChIKey is HIEJZAZLBJIFGB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-8-17-9-13(16)15-10(2)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide has a molecular weight of 300.20 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide is sourced from PubChem (CID 113344955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).