3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide

C24H30N2O — CID 58276629

IUPAC3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide
SMILESCC1(C)CCC(NC2CCc3cc(-c4cccc(C(N)=O)c4)ccc32)CC1
InChIInChI=1S/C24H30N2O/c1-24(2)12-10-20(11-13-24)26-22-9-7-18-14-17(6-8-21(18)22)16-4-3-5-19(15-16)23(25)27/h3-6,8,14-15,20,22,26H,7,9-13H2,1-2H3,(H2,25,27)
InChIKeyUUDCWXYQTWJBHP-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.00
Rot. Bonds4

About 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide

3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide (PubChem CID 58276629) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide.

Molecular Properties

Compound Name3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide
PubChem CID58276629
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide
SMILESCC1(C)CCC(NC2CCc3cc(-c4cccc(C(N)=O)c4)ccc32)CC1
InChIInChI=1S/C24H30N2O/c1-24(2)12-10-20(11-13-24)26-22-9-7-18-14-17(6-8-21(18)22)16-4-3-5-19(15-16)23(25)27/h3-6,8,14-15,20,22,26H,7,9-13H2,1-2H3,(H2,25,27)
InChIKeyUUDCWXYQTWJBHP-UHFFFAOYSA-N
XLogP5.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide with MolForge

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Related Compounds

3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105471083
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
6-[[1-(cyclopropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]pyridine-3-carboxamide
CID 11324266
1-[4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]piperidin-1-yl]ethanone
CID 79730766
3-[2-(3,3-dimethylcyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 68603534
6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
3-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-1-methylcyclobutane-1-carboxylic acid
CID 167783663
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
1-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 70321993
1-[(4-hydroxycyclohexyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682715
3-[3-(cyclohexylamino)oxyphenyl]benzamide
CID 90125063

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide?
The IUPAC name of 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide (CID 58276629) is 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide.
What is the SMILES notation for 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide?
The canonical SMILES for 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide is CC1(C)CCC(NC2CCc3cc(-c4cccc(C(N)=O)c4)ccc32)CC1.
What is the InChIKey of 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide?
The InChIKey is UUDCWXYQTWJBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-24(2)12-10-20(11-13-24)26-22-9-7-18-14-17(6-8-21(18)22)16-4-3-5-19(15-16)23(25)27/h3-6,8,14-15,20,22,26H,7,9-13H2,1-2H3,(H2,25,27).
What are the key properties of 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide?
3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide has a molecular weight of 362.52 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4,4-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]benzamide is sourced from PubChem (CID 58276629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).