2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde

C24H28N2O4 — CID 166125896

IUPAC2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde
SMILESNC1Cc2c(OCCOc3cccc4c3C(CC=O)C(N)C4)cccc2C1CC=O
InChIInChI=1S/C24H28N2O4/c25-20-13-15-3-1-6-23(24(15)18(20)8-10-28)30-12-11-29-22-5-2-4-16-17(7-9-27)21(26)14-19(16)22/h1-6,9-10,17-18,20-21H,7-8,11-14,25-26H2
InChIKeyQWELPCZJDAJEDZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.26
Rot. Bonds9

About 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde

2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde (PubChem CID 166125896) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde
PubChem CID166125896
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde
SMILESNC1Cc2c(OCCOc3cccc4c3C(CC=O)C(N)C4)cccc2C1CC=O
InChIInChI=1S/C24H28N2O4/c25-20-13-15-3-1-6-23(24(15)18(20)8-10-28)30-12-11-29-22-5-2-4-16-17(7-9-27)21(26)14-19(16)22/h1-6,9-10,17-18,20-21H,7-8,11-14,25-26H2
InChIKeyQWELPCZJDAJEDZ-UHFFFAOYSA-N
XLogP2.26
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde?
The IUPAC name of 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde (CID 166125896) is 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde.
What is the SMILES notation for 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde?
The canonical SMILES for 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde is NC1Cc2c(OCCOc3cccc4c3C(CC=O)C(N)C4)cccc2C1CC=O.
What is the InChIKey of 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde?
The InChIKey is QWELPCZJDAJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c25-20-13-15-3-1-6-23(24(15)18(20)8-10-28)30-12-11-29-22-5-2-4-16-17(7-9-27)21(26)14-19(16)22/h1-6,9-10,17-18,20-21H,7-8,11-14,25-26H2.
What are the key properties of 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde?
2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde has a molecular weight of 408.50 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde is sourced from PubChem (CID 166125896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).