2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium

C24H32N3O2+ — CID 9463870

IUPAC2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C24H31N3O2/c1-3-27(4-2)15-14-25-24(29)20-10-12-22(13-11-20)26-23(28)17-18-8-9-19-6-5-7-21(19)16-18/h8-13,16H,3-7,14-15,17H2,1-2H3,(H,25,29)(H,26,28)/p+1
InChIKeyYDFNQCYOZGFRGY-UHFFFAOYSA-O
MW394.54 g/mol
LogP2.01
Rot. Bonds9

About 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium

2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium (PubChem CID 9463870) has the molecular formula C24H32N3O2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
PubChem CID9463870
Molecular FormulaC24H32N3O2+
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C24H31N3O2/c1-3-27(4-2)15-14-25-24(29)20-10-12-22(13-11-20)26-23(28)17-18-8-9-19-6-5-7-21(19)16-18/h8-13,16H,3-7,14-15,17H2,1-2H3,(H,25,29)(H,26,28)/p+1
InChIKeyYDFNQCYOZGFRGY-UHFFFAOYSA-O
XLogP2.01
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium with MolForge

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Related Compounds

diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
CID 7981738
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 7972960
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 46535602
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746
4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
CID 55802388
N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431377
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9465860
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium (CID 9463870) is 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium?
The InChIKey is YDFNQCYOZGFRGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N3O2/c1-3-27(4-2)15-14-25-24(29)20-10-12-22(13-11-20)26-23(28)17-18-8-9-19-6-5-7-21(19)16-18/h8-13,16H,3-7,14-15,17H2,1-2H3,(H,25,29)(H,26,28)/p+1.
What are the key properties of 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium?
2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium has a molecular weight of 394.54 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 9463870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).