N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide

C19H23NO3 — CID 70787021

IUPACN-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide
SMILESCOc1cccc(OCCc2ccc(C(C)NC(C)=O)cc2)c1
InChIInChI=1S/C19H23NO3/c1-14(20-15(2)21)17-9-7-16(8-10-17)11-12-23-19-6-4-5-18(13-19)22-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyQTHTXCAJJQHIOC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.51
Rot. Bonds7

About N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide

N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide (PubChem CID 70787021) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide
PubChem CID70787021
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide
SMILESCOc1cccc(OCCc2ccc(C(C)NC(C)=O)cc2)c1
InChIInChI=1S/C19H23NO3/c1-14(20-15(2)21)17-9-7-16(8-10-17)11-12-23-19-6-4-5-18(13-19)22-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyQTHTXCAJJQHIOC-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide (CID 70787021) is N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide is COc1cccc(OCCc2ccc(C(C)NC(C)=O)cc2)c1.
What is the InChIKey of N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide?
The InChIKey is QTHTXCAJJQHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(20-15(2)21)17-9-7-16(8-10-17)11-12-23-19-6-4-5-18(13-19)22-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide?
N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 70787021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).