N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide

C18H24N4O2 — CID 118784805

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide
SMILESCCc1nnc(CN(C)CCC(=O)Nc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C18H24N4O2/c1-3-17-20-21-18(24-17)12-22(2)10-9-16(23)19-15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,23)
InChIKeyAFWGVFKVPHXODP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.58
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide (PubChem CID 118784805) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide
PubChem CID118784805
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide
SMILESCCc1nnc(CN(C)CCC(=O)Nc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C18H24N4O2/c1-3-17-20-21-18(24-17)12-22(2)10-9-16(23)19-15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,23)
InChIKeyAFWGVFKVPHXODP-UHFFFAOYSA-N
XLogP2.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide (CID 118784805) is N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide is CCc1nnc(CN(C)CCC(=O)Nc2ccc3c(c2)CCC3)o1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide?
The InChIKey is AFWGVFKVPHXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-17-20-21-18(24-17)12-22(2)10-9-16(23)19-15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 118784805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).