N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide

C13H18BrNO2 — CID 43133571

IUPACN-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCBr)cc1
InChIInChI=1S/C13H18BrNO2/c1-17-12-6-3-11(4-7-12)5-8-13(16)15-10-2-9-14/h3-4,6-7H,2,5,8-10H2,1H3,(H,15,16)
InChIKeyRLZFBXYNTUMMID-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.53
Rot. Bonds7

About N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide

N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 43133571) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
PubChem CID43133571
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCBr)cc1
InChIInChI=1S/C13H18BrNO2/c1-17-12-6-3-11(4-7-12)5-8-13(16)15-10-2-9-14/h3-4,6-7H,2,5,8-10H2,1H3,(H,15,16)
InChIKeyRLZFBXYNTUMMID-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.53
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'}

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Related Compounds

N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
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
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide (CID 43133571) is N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCCBr)cc1.
What is the InChIKey of N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is RLZFBXYNTUMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-12-6-3-11(4-7-12)5-8-13(16)15-10-2-9-14/h3-4,6-7H,2,5,8-10H2,1H3,(H,15,16).
What are the key properties of N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide?
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 43133571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).