N-[2-(3-methoxyphenyl)ethyl]pentanamide

C14H21NO2 — CID 10823664

IUPACN-[2-(3-methoxyphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-3-4-8-14(16)15-10-9-12-6-5-7-13(11-12)17-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyFKCCYLLBXVOAQY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]pentanamide

N-[2-(3-methoxyphenyl)ethyl]pentanamide (PubChem CID 10823664) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]pentanamide
PubChem CID10823664
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-3-4-8-14(16)15-10-9-12-6-5-7-13(11-12)17-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyFKCCYLLBXVOAQY-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]pentanamide (CID 10823664) is N-[2-(3-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]pentanamide is CCCCC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]pentanamide?
The InChIKey is FKCCYLLBXVOAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-8-14(16)15-10-9-12-6-5-7-13(11-12)17-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]pentanamide?
N-[2-(3-methoxyphenyl)ethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 10823664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).