N-[4-(3-methoxyphenyl)butyl]pentanamide

C16H25NO2 — CID 10635293

IUPACN-[4-(3-methoxyphenyl)butyl]pentanamide
SMILESCCCCC(=O)NCCCCc1cccc(OC)c1
InChIInChI=1S/C16H25NO2/c1-3-4-11-16(18)17-12-6-5-8-14-9-7-10-15(13-14)19-2/h7,9-10,13H,3-6,8,11-12H2,1-2H3,(H,17,18)
InChIKeyJRDIVSDLCQJXNK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds9

About N-[4-(3-methoxyphenyl)butyl]pentanamide

N-[4-(3-methoxyphenyl)butyl]pentanamide (PubChem CID 10635293) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)butyl]pentanamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)butyl]pentanamide
PubChem CID10635293
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[4-(3-methoxyphenyl)butyl]pentanamide
SMILESCCCCC(=O)NCCCCc1cccc(OC)c1
InChIInChI=1S/C16H25NO2/c1-3-4-11-16(18)17-12-6-5-8-14-9-7-10-15(13-14)19-2/h7,9-10,13H,3-6,8,11-12H2,1-2H3,(H,17,18)
InChIKeyJRDIVSDLCQJXNK-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)butyl]pentanamide?
The IUPAC name of N-[4-(3-methoxyphenyl)butyl]pentanamide (CID 10635293) is N-[4-(3-methoxyphenyl)butyl]pentanamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)butyl]pentanamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)butyl]pentanamide is CCCCC(=O)NCCCCc1cccc(OC)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)butyl]pentanamide?
The InChIKey is JRDIVSDLCQJXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-11-16(18)17-12-6-5-8-14-9-7-10-15(13-14)19-2/h7,9-10,13H,3-6,8,11-12H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(3-methoxyphenyl)butyl]pentanamide?
N-[4-(3-methoxyphenyl)butyl]pentanamide has a molecular weight of 263.38 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)butyl]pentanamide is sourced from PubChem (CID 10635293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).