N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide

C19H23NO3 — CID 112977716

IUPACN-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
SMILESCCOc1cccc(OCC(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-3-20(14-16-9-6-5-7-10-16)19(21)15-23-18-12-8-11-17(13-18)22-4-2/h5-13H,3-4,14-15H2,1-2H3
InChIKeyNILJJPVKHZSRJW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.51
Rot. Bonds8

About N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide

N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide (PubChem CID 112977716) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
PubChem CID112977716
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
SMILESCCOc1cccc(OCC(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-3-20(14-16-9-6-5-7-10-16)19(21)15-23-18-12-8-11-17(13-18)22-4-2/h5-13H,3-4,14-15H2,1-2H3
InChIKeyNILJJPVKHZSRJW-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
CID 91392337
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
2-[2-[3-[2-[(4-tert-butylphenyl)methyl-ethylamino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
CID 91354514
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide (CID 112977716) is N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide is CCOc1cccc(OCC(=O)N(CC)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide?
The InChIKey is NILJJPVKHZSRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-20(14-16-9-6-5-7-10-16)19(21)15-23-18-12-8-11-17(13-18)22-4-2/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide?
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide is sourced from PubChem (CID 112977716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).