N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide

C18H22N2O2 — CID 24750195

IUPACN-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide
SMILESCOc1cccc(N(CCN(C)C(C)=O)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-15(21)19(2)12-13-20(16-8-5-4-6-9-16)17-10-7-11-18(14-17)22-3/h4-11,14H,12-13H2,1-3H3
InChIKeyVZIPQXZLYOPZRL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide

N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide (PubChem CID 24750195) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide
PubChem CID24750195
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide
SMILESCOc1cccc(N(CCN(C)C(C)=O)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-15(21)19(2)12-13-20(16-8-5-4-6-9-16)17-10-7-11-18(14-17)22-3/h4-11,14H,12-13H2,1-3H3
InChIKeyVZIPQXZLYOPZRL-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide (CID 24750195) is N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide is COc1cccc(N(CCN(C)C(C)=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide?
The InChIKey is VZIPQXZLYOPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15(21)19(2)12-13-20(16-8-5-4-6-9-16)17-10-7-11-18(14-17)22-3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide?
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-(3-methoxyphenyl)anilino)ethyl]-N-methylacetamide is sourced from PubChem (CID 24750195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).