(2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide

C26H38N2O4 — CID 166100478

IUPAC(2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide
SMILESO=C(N[C@H]1CCCN2CCOc3ccccc3C3CCC(CC3)OC[C@@H]12)[C@H]1CCCCO1
InChIInChI=1S/C26H38N2O4/c29-26(25-9-3-4-16-30-25)27-22-7-5-14-28-15-17-31-24-8-2-1-6-21(24)19-10-12-20(13-11-19)32-18-23(22)28/h1-2,6,8,19-20,22-23,25H,3-5,7,9-18H2,(H,27,29)/t19?,20?,22-,23-,25+/m0/s1
InChIKeyDEBWWBZVBHUQKG-AHWMPWSESA-N
MW442.60 g/mol
LogP3.64
Rot. Bonds2

About (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide

(2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide (PubChem CID 166100478) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide
PubChem CID166100478
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name(2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide
SMILESO=C(N[C@H]1CCCN2CCOc3ccccc3C3CCC(CC3)OC[C@@H]12)[C@H]1CCCCO1
InChIInChI=1S/C26H38N2O4/c29-26(25-9-3-4-16-30-25)27-22-7-5-14-28-15-17-31-24-8-2-1-6-21(24)19-10-12-20(13-11-19)32-18-23(22)28/h1-2,6,8,19-20,22-23,25H,3-5,7,9-18H2,(H,27,29)/t19?,20?,22-,23-,25+/m0/s1
InChIKeyDEBWWBZVBHUQKG-AHWMPWSESA-N
XLogP3.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide with MolForge

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Related Compounds

N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide
CID 171437798
N-[(15S)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide
CID 171437794
N-[(14S,15R)-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]oxetane-3-carboxamide
CID 166100561
N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide
CID 164553158
N-[(16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]ethanesulfonamide
CID 167117621
1-cyclobutyl-N-[(16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117590
(2S)-N-(8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-ylidene)oxolane-2-carboxamide
CID 166100518
N-[(15S)-4-methyl-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 164799193
2-methoxy-N-[(15S)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]acetamide
CID 171437807
(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
CID 100570398
(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
CID 167145888
1,1-difluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117543

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide (CID 166100478) is (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide is O=C(N[C@H]1CCCN2CCOc3ccccc3C3CCC(CC3)OC[C@@H]12)[C@H]1CCCCO1.
What is the InChIKey of (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide?
The InChIKey is DEBWWBZVBHUQKG-AHWMPWSESA-N. The full InChI is InChI=1S/C26H38N2O4/c29-26(25-9-3-4-16-30-25)27-22-7-5-14-28-15-17-31-24-8-2-1-6-21(24)19-10-12-20(13-11-19)32-18-23(22)28/h1-2,6,8,19-20,22-23,25H,3-5,7,9-18H2,(H,27,29)/t19?,20?,22-,23-,25+/m0/s1.
What are the key properties of (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide?
(2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxane-2-carboxamide is sourced from PubChem (CID 166100478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).