N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

C20H28N2O3 — CID 84600448

IUPACN-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCC1Cc2ccccc2C1NC(=O)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C20H28N2O3/c1-15-12-16-4-2-3-5-17(16)18(15)21-19(23)22-8-11-25-14-20(13-22)6-9-24-10-7-20/h2-5,15,18H,6-14H2,1H3,(H,21,23)
InChIKeyXKHSNAXCSYOCCB-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.76
Rot. Bonds1

About N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (PubChem CID 84600448) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
PubChem CID84600448
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCC1Cc2ccccc2C1NC(=O)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C20H28N2O3/c1-15-12-16-4-2-3-5-17(16)18(15)21-19(23)22-8-11-25-14-20(13-22)6-9-24-10-7-20/h2-5,15,18H,6-14H2,1H3,(H,21,23)
InChIKeyXKHSNAXCSYOCCB-UHFFFAOYSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024869
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024872
4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334234
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
N-(2-methylcyclopentyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 127830794
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
CID 97094911
N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71921021
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99714220
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 86788762
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
4-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103950748

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The IUPAC name of N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (CID 84600448) is N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.
What is the SMILES notation for N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The canonical SMILES for N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is CC1Cc2ccccc2C1NC(=O)N1CCOCC2(CCOCC2)C1.
What is the InChIKey of N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The InChIKey is XKHSNAXCSYOCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-12-16-4-2-3-5-17(16)18(15)21-19(23)22-8-11-25-14-20(13-22)6-9-24-10-7-20/h2-5,15,18H,6-14H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is sourced from PubChem (CID 84600448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).