N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide

C18H22N2O2 — CID 24750069

IUPACN-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-15(21)19-11-12-20(14-16-7-4-3-5-8-16)17-9-6-10-18(13-17)22-2/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
InChIKeyTXTFXHICUOUBQO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide

N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide (PubChem CID 24750069) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
PubChem CID24750069
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-15(21)19-11-12-20(14-16-7-4-3-5-8-16)17-9-6-10-18(13-17)22-2/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
InChIKeyTXTFXHICUOUBQO-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide (CID 24750069) is N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide is COc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1.
What is the InChIKey of N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide?
The InChIKey is TXTFXHICUOUBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15(21)19-11-12-20(14-16-7-4-3-5-8-16)17-9-6-10-18(13-17)22-2/h3-10,13H,11-12,14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide?
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide is sourced from PubChem (CID 24750069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).