N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide

C30H41N3O3 — CID 139425171

IUPACN-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide
SMILESCC1ONC(c2ccc3c(c2)CC[C@H]3NC(=O)c2cccc([C@@H](C)O)c2)N1C1CCCCCCCC1
InChIInChI=1S/C30H41N3O3/c1-20(34)22-10-9-11-25(18-22)30(35)31-28-17-15-23-19-24(14-16-27(23)28)29-32-36-21(2)33(29)26-12-7-5-3-4-6-8-13-26/h9-11,14,16,18-21,26,28-29,32,34H,3-8,12-13,15,17H2,1-2H3,(H,31,35)/t20-,21?,28-,29?/m1/s1
InChIKeyUJVROIKMWRVNIV-UTQJTCGESA-N
MW491.68 g/mol
LogP5.84
Rot. Bonds5

About N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide

N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide (PubChem CID 139425171) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide
PubChem CID139425171
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC NameN-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide
SMILESCC1ONC(c2ccc3c(c2)CC[C@H]3NC(=O)c2cccc([C@@H](C)O)c2)N1C1CCCCCCCC1
InChIInChI=1S/C30H41N3O3/c1-20(34)22-10-9-11-25(18-22)30(35)31-28-17-15-23-19-24(14-16-27(23)28)29-32-36-21(2)33(29)26-12-7-5-3-4-6-8-13-26/h9-11,14,16,18-21,26,28-29,32,34H,3-8,12-13,15,17H2,1-2H3,(H,31,35)/t20-,21?,28-,29?/m1/s1
InChIKeyUJVROIKMWRVNIV-UTQJTCGESA-N
XLogP5.84
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
CID 3058670
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330915
N-[(1R)-5-[3-cyclooctyl-5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(hydroxymethyl)benzamide
CID 139425102
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 139000372
N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461660
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 129385774
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide
CID 155296586
1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide
CID 155296577

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide?
The IUPAC name of N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide (CID 139425171) is N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide.
What is the SMILES notation for N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide?
The canonical SMILES for N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide is CC1ONC(c2ccc3c(c2)CC[C@H]3NC(=O)c2cccc([C@@H](C)O)c2)N1C1CCCCCCCC1.
What is the InChIKey of N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide?
The InChIKey is UJVROIKMWRVNIV-UTQJTCGESA-N. The full InChI is InChI=1S/C30H41N3O3/c1-20(34)22-10-9-11-25(18-22)30(35)31-28-17-15-23-19-24(14-16-27(23)28)29-32-36-21(2)33(29)26-12-7-5-3-4-6-8-13-26/h9-11,14,16,18-21,26,28-29,32,34H,3-8,12-13,15,17H2,1-2H3,(H,31,35)/t20-,21?,28-,29?/m1/s1.
What are the key properties of N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide?
N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide has a molecular weight of 491.68 g/mol, XLogP of 5.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(4-cyclononyl-5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-hydroxyethyl]benzamide is sourced from PubChem (CID 139425171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).