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

C23H32N2O4 — CID 166100561

IUPACN-[(14S,15R)-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]oxetane-3-carboxamide
SMILESO=C(N[C@H]1CCN2CCOc3ccccc3C3CCC(CC3)OC[C@@H]12)C1COC1
InChIInChI=1S/C23H32N2O4/c26-23(17-13-27-14-17)24-20-9-10-25-11-12-28-22-4-2-1-3-19(22)16-5-7-18(8-6-16)29-15-21(20)25/h1-4,16-18,20-21H,5-15H2,(H,24,26)/t16?,18?,20-,21-/m0/s1
InChIKeyDLWDEKMMMJKPDA-NGKMOHNRSA-N
MW400.52 g/mol
LogP2.33
Rot. Bonds2

About 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

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 (PubChem CID 166100561) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(14S,15R)-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]oxetane-3-carboxamide
PubChem CID166100561
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[(14S,15R)-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]oxetane-3-carboxamide
SMILESO=C(N[C@H]1CCN2CCOc3ccccc3C3CCC(CC3)OC[C@@H]12)C1COC1
InChIInChI=1S/C23H32N2O4/c26-23(17-13-27-14-17)24-20-9-10-25-11-12-28-22-4-2-1-3-19(22)16-5-7-18(8-6-16)29-15-21(20)25/h1-4,16-18,20-21H,5-15H2,(H,24,26)/t16?,18?,20-,21-/m0/s1
InChIKeyDLWDEKMMMJKPDA-NGKMOHNRSA-N
XLogP2.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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
(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
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
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
(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-[(9R,14S,15R)-9-methyl-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfinamide
CID 156747318
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
N-[(9S,14S)-9-ethyl-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide
CID 156687909
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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N[C@H]1CCN2CCOc3ccccc3C3CCC(CC3)OC[C@@H]12)C1COC1.
What is the InChIKey of 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?
The InChIKey is DLWDEKMMMJKPDA-NGKMOHNRSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-23(17-13-27-14-17)24-20-9-10-25-11-12-28-22-4-2-1-3-19(22)16-5-7-18(8-6-16)29-15-21(20)25/h1-4,16-18,20-21H,5-15H2,(H,24,26)/t16?,18?,20-,21-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 400.52 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166100561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).