N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C20H26N2O3 — CID 97051053

IUPACN-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC[C@H]1C[C@]12CCc1ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H26N2O3/c23-18(22-9-7-20(8-10-22)24-11-12-25-20)21-14-16-13-19(16)6-5-15-3-1-2-4-17(15)19/h1-4,16H,5-14H2,(H,21,23)/t16-,19-/m1/s1
InChIKeyVDZLOIMXPURIOS-VQIMIIECSA-N
MW342.44 g/mol
LogP2.44
Rot. Bonds2

About N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 97051053) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID97051053
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC[C@H]1C[C@]12CCc1ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H26N2O3/c23-18(22-9-7-20(8-10-22)24-11-12-25-20)21-14-16-13-19(16)6-5-15-3-1-2-4-17(15)19/h1-4,16H,5-14H2,(H,21,23)/t16-,19-/m1/s1
InChIKeyVDZLOIMXPURIOS-VQIMIIECSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051055
3-(2,5-dihydropyrrol-1-yl)-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)pyrrolidine-1-carboxamide
CID 86769564
(3S)-3-(hydroxymethyl)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]piperidine-1-carboxamide
CID 97225923
5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide
CID 97083649
3-N-methyl-1-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)piperidine-1,3-dicarboxamide
CID 71855559
(2R)-2-(hydroxymethyl)-N-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyrrolidine-1-carboxamide
CID 97055283
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330

Frequently Asked Questions

What is the IUPAC name of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 97051053) is N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NC[C@H]1C[C@]12CCc1ccccc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is VDZLOIMXPURIOS-VQIMIIECSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18(22-9-7-20(8-10-22)24-11-12-25-20)21-14-16-13-19(16)6-5-15-3-1-2-4-17(15)19/h1-4,16H,5-14H2,(H,21,23)/t16-,19-/m1/s1.
What are the key properties of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97051053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).