3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide

C16H24BrNO2 — CID 127122247

IUPAC3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
SMILESCCCCOCCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-2-3-11-20-12-5-10-18-16(19)9-8-14-6-4-7-15(17)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3,(H,18,19)
InChIKeyJPODVBIEDBRKTA-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.70
Rot. Bonds10

About 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide

3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide (PubChem CID 127122247) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
PubChem CID127122247
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
SMILESCCCCOCCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-2-3-11-20-12-5-10-18-16(19)9-8-14-6-4-7-15(17)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3,(H,18,19)
InChIKeyJPODVBIEDBRKTA-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
CID 82950103
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
1-[(3-bromophenyl)methyl]-3-(3-butoxypropyl)-2-methylguanidine
CID 111240143
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
1-[(3-bromophenyl)methyl]-3-(3-ethoxypropyl)urea
CID 108898807
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide (CID 127122247) is 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide is CCCCOCCCNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide?
The InChIKey is JPODVBIEDBRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-2-3-11-20-12-5-10-18-16(19)9-8-14-6-4-7-15(17)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3,(H,18,19).
What are the key properties of 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide?
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide has a molecular weight of 342.28 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide is sourced from PubChem (CID 127122247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).