N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide

C17H20N2O2 — CID 24749950

IUPACN-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyPWTCGLHUMIIRML-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide

N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide (PubChem CID 24749950) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide
PubChem CID24749950
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyPWTCGLHUMIIRML-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide (CID 24749950) is N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide is COc1ccc(N(CCNC(C)=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide?
The InChIKey is PWTCGLHUMIIRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide?
N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide is sourced from PubChem (CID 24749950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).