N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide

C14H20BrNO2 — CID 106130409

IUPACN-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCCC(C)Br)c1
InChIInChI=1S/C14H20BrNO2/c1-11(15)5-4-8-16-14(17)10-12-6-3-7-13(9-12)18-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,16,17)
InChIKeyMZWZUDXMMNEUCR-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.92
Rot. Bonds7

About N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide

N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 106130409) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
PubChem CID106130409
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCCC(C)Br)c1
InChIInChI=1S/C14H20BrNO2/c1-11(15)5-4-8-16-14(17)10-12-6-3-7-13(9-12)18-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,16,17)
InChIKeyMZWZUDXMMNEUCR-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.92
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-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
CID 62033755
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide (CID 106130409) is N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCCCC(C)Br)c1.
What is the InChIKey of N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is MZWZUDXMMNEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11(15)5-4-8-16-14(17)10-12-6-3-7-13(9-12)18-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide?
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 106130409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).