N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide

C15H22BrNO2 — CID 107321632

IUPACN-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCCCBr)cc1
InChIInChI=1S/C15H22BrNO2/c1-19-14-8-5-13(6-9-14)7-10-15(18)17-12-4-2-3-11-16/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,18)
InChIKeyURYDRFMGULDZNH-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.31
Rot. Bonds9

About N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide

N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 107321632) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
PubChem CID107321632
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCCCBr)cc1
InChIInChI=1S/C15H22BrNO2/c1-19-14-8-5-13(6-9-14)7-10-15(18)17-12-4-2-3-11-16/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,18)
InChIKeyURYDRFMGULDZNH-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide 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-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
CID 79457335
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide (CID 107321632) is N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCCCCBr)cc1.
What is the InChIKey of N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is URYDRFMGULDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-14-8-5-13(6-9-14)7-10-15(18)17-12-4-2-3-11-16/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,18).
What are the key properties of N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide?
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 328.25 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 107321632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).