2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide

C20H30N2O — CID 163312235

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
SMILESCN(C)C1CCC(CNC(=O)CC2CCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O/c1-22(2)18-11-7-15(8-12-18)14-21-20(23)13-17-10-9-16-5-3-4-6-19(16)17/h3-6,15,17-18H,7-14H2,1-2H3,(H,21,23)
InChIKeyKNLVBOKOVJSSDB-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.34
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide (PubChem CID 163312235) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
PubChem CID163312235
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
SMILESCN(C)C1CCC(CNC(=O)CC2CCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O/c1-22(2)18-11-7-15(8-12-18)14-21-20(23)13-17-10-9-16-5-3-4-6-19(16)17/h3-6,15,17-18H,7-14H2,1-2H3,(H,21,23)
InChIKeyKNLVBOKOVJSSDB-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986948
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986947
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484467
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-(2,3-dihydro-1H-inden-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72882863
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide (CID 163312235) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide is CN(C)C1CCC(CNC(=O)CC2CCc3ccccc32)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide?
The InChIKey is KNLVBOKOVJSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-22(2)18-11-7-15(8-12-18)14-21-20(23)13-17-10-9-16-5-3-4-6-19(16)17/h3-6,15,17-18H,7-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide has a molecular weight of 314.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 163312235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).