1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide

C22H32N2O2 — CID 86955646

IUPAC1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CC2CCc3ccccc32)CCCCC1
InChIInChI=1S/C22H32N2O2/c1-3-24(4-2)21(26)22(14-8-5-9-15-22)23-20(25)16-18-13-12-17-10-6-7-11-19(17)18/h6-7,10-11,18H,3-5,8-9,12-16H2,1-2H3,(H,23,25)
InChIKeyHTYFENGIDCYDJX-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.79
Rot. Bonds6

About 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide

1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 86955646) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
PubChem CID86955646
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CC2CCc3ccccc32)CCCCC1
InChIInChI=1S/C22H32N2O2/c1-3-24(4-2)21(26)22(14-8-5-9-15-22)23-20(25)16-18-13-12-17-10-6-7-11-19(17)18/h6-7,10-11,18H,3-5,8-9,12-16H2,1-2H3,(H,23,25)
InChIKeyHTYFENGIDCYDJX-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 97122248
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-phenylcyclobutyl)acetamide
CID 86955408
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
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
CID 97149001
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
CID 163312235
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 86955608

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide (CID 86955646) is 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CC2CCc3ccccc32)CCCCC1.
What is the InChIKey of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is HTYFENGIDCYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-24(4-2)21(26)22(14-8-5-9-15-22)23-20(25)16-18-13-12-17-10-6-7-11-19(17)18/h6-7,10-11,18H,3-5,8-9,12-16H2,1-2H3,(H,23,25).
What are the key properties of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 86955646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).