2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide

C18H22N2O2 — CID 21434805

IUPAC2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide
SMILESCCc1cc(CC)cc(Oc2cccc(NC(=O)CN)c2)c1
InChIInChI=1S/C18H22N2O2/c1-3-13-8-14(4-2)10-17(9-13)22-16-7-5-6-15(11-16)20-18(21)12-19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyFUVHQJNPDFJXMZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.50
Rot. Bonds6

About 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide

2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide (PubChem CID 21434805) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide
PubChem CID21434805
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide
SMILESCCc1cc(CC)cc(Oc2cccc(NC(=O)CN)c2)c1
InChIInChI=1S/C18H22N2O2/c1-3-13-8-14(4-2)10-17(9-13)22-16-7-5-6-15(11-16)20-18(21)12-19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyFUVHQJNPDFJXMZ-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide (CID 21434805) is 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide is CCc1cc(CC)cc(Oc2cccc(NC(=O)CN)c2)c1.
What is the InChIKey of 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide?
The InChIKey is FUVHQJNPDFJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-13-8-14(4-2)10-17(9-13)22-16-7-5-6-15(11-16)20-18(21)12-19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide?
2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide is sourced from PubChem (CID 21434805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).