[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium

C22H29N2O+ — CID 8947914

IUPAC[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H28N2O/c1-3-24(4-2)16-18-10-8-17(9-11-18)15-23-22(25)21-13-12-19-6-5-7-20(19)14-21/h8-14H,3-7,15-16H2,1-2H3,(H,23,25)/p+1
InChIKeyJYUFKRKLXABCAH-UHFFFAOYSA-O
MW337.49 g/mol
LogP2.53
Rot. Bonds7

About [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium

[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium (PubChem CID 8947914) has the molecular formula C22H29N2O+ and a molecular weight of 337.49 g/mol. Its IUPAC name is [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium.

Molecular Properties

Compound Name[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
PubChem CID8947914
Molecular FormulaC22H29N2O+
Molecular Weight337.49 g/mol
Exact Mass337.23
IUPAC Name[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H28N2O/c1-3-24(4-2)16-18-10-8-17(9-11-18)15-23-22(25)21-13-12-19-6-5-7-20(19)14-21/h8-14H,3-7,15-16H2,1-2H3,(H,23,25)/p+1
InChIKeyJYUFKRKLXABCAH-UHFFFAOYSA-O
XLogP2.53
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8947985
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007
N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
diethyl-[[4-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8948701
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
CID 9463870

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium?
The IUPAC name of [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium (CID 8947914) is [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium.
What is the SMILES notation for [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium?
The canonical SMILES for [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium is CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium?
The InChIKey is JYUFKRKLXABCAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2O/c1-3-24(4-2)16-18-10-8-17(9-11-18)15-23-22(25)21-13-12-19-6-5-7-20(19)14-21/h8-14H,3-7,15-16H2,1-2H3,(H,23,25)/p+1.
What are the key properties of [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium?
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium has a molecular weight of 337.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium is sourced from PubChem (CID 8947914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).