N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C23H26N4O2 — CID 31016036

IUPACN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C23H26N4O2/c1-17-21(26-29-25-17)12-22(28)24-16-23(13-19-10-6-7-11-20(19)14-23)27(2)15-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,24,28)
InChIKeyIFZXMBSXCRLEDG-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.71
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 31016036) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID31016036
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C23H26N4O2/c1-17-21(26-29-25-17)12-22(28)24-16-23(13-19-10-6-7-11-20(19)14-23)27(2)15-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,24,28)
InChIKeyIFZXMBSXCRLEDG-UHFFFAOYSA-N
XLogP2.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 31016036) is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is IFZXMBSXCRLEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-21(26-29-25-17)12-22(28)24-16-23(13-19-10-6-7-11-20(19)14-23)27(2)15-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,24,28).
What are the key properties of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 31016036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).