N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide

C22H28N2O3 — CID 2575996

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C22H28N2O3/c1-4-27-20-11-8-16(12-21(20)26-3)14-24(2)15-22(25)23-19-10-9-17-6-5-7-18(17)13-19/h8-13H,4-7,14-15H2,1-3H3,(H,23,25)
InChIKeyLKLFLHNYLVAKHX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.65
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2575996) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID2575996
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C22H28N2O3/c1-4-27-20-11-8-16(12-21(20)26-3)14-24(2)15-22(25)23-19-10-9-17-6-5-7-18(17)13-19/h8-13H,4-7,14-15H2,1-3H3,(H,23,25)
InChIKeyLKLFLHNYLVAKHX-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide (CID 2575996) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is LKLFLHNYLVAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-27-20-11-8-16(12-21(20)26-3)14-24(2)15-22(25)23-19-10-9-17-6-5-7-18(17)13-19/h8-13H,4-7,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2575996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).