3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide

C13H18BrNO3 — CID 115409803

IUPAC3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3/c1-10(2)9-18-15-13(16)7-8-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyMDNGPXCHNOWCBD-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.92
Rot. Bonds7

About 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide

3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide (PubChem CID 115409803) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
PubChem CID115409803
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3/c1-10(2)9-18-15-13(16)7-8-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyMDNGPXCHNOWCBD-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
(2S)-2-[3-(4-bromophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61172016
3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
CID 95972620

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide (CID 115409803) is 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide is CC(C)CONC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide?
The InChIKey is MDNGPXCHNOWCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10(2)9-18-15-13(16)7-8-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide?
3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide has a molecular weight of 316.19 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide is sourced from PubChem (CID 115409803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).