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

C12H17NO2 — CID 10584457

IUPACN-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-12(14)13-8-7-10-5-4-6-11(9-10)15-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyNLPIPSDUJWIURK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.76
Rot. Bonds5

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

N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 10584457) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID10584457
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-12(14)13-8-7-10-5-4-6-11(9-10)15-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyNLPIPSDUJWIURK-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.76
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]propanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 10584457) is N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]propanamide is CCC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is NLPIPSDUJWIURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-12(14)13-8-7-10-5-4-6-11(9-10)15-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]propanamide?
N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 207.27 g/mol, XLogP of 1.76, 5 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]propanamide is sourced from PubChem (CID 10584457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).