N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C23H30N2O3 — CID 55528913

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C23H30N2O3/c1-3-25(4-2)14-15-27-22-11-6-5-10-21(22)24-23(26)17-28-20-13-12-18-8-7-9-19(18)16-20/h5-6,10-13,16H,3-4,7-9,14-15,17H2,1-2H3,(H,24,26)
InChIKeyIXPKKLWYJZJWFM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.91
Rot. Bonds10

About N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 55528913) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID55528913
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C23H30N2O3/c1-3-25(4-2)14-15-27-22-11-6-5-10-21(22)24-23(26)17-28-20-13-12-18-8-7-9-19(18)16-20/h5-6,10-13,16H,3-4,7-9,14-15,17H2,1-2H3,(H,24,26)
InChIKeyIXPKKLWYJZJWFM-UHFFFAOYSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 55528913) is N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is CCN(CC)CCOc1ccccc1NC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is IXPKKLWYJZJWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-25(4-2)14-15-27-22-11-6-5-10-21(22)24-23(26)17-28-20-13-12-18-8-7-9-19(18)16-20/h5-6,10-13,16H,3-4,7-9,14-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 55528913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).