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

C26H36N2O5 — CID 171437794

IUPACN-[(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
SMILESO=C(N[C@H]1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12)C1CCCCO1
InChIInChI=1S/C26H36N2O5/c29-25-17-33-23-8-2-1-6-20(23)18-10-12-19(13-11-18)32-16-22-21(7-5-14-28(22)25)27-26(30)24-9-3-4-15-31-24/h1-2,6,8,18-19,21-22,24H,3-5,7,9-17H2,(H,27,30)/t18?,19?,21-,22?,24?/m0/s1
InChIKeyRILGCFSCFIBKHH-UGXDDMJDSA-N
MW456.58 g/mol
LogP3.17
Rot. Bonds2

About 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

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 (PubChem CID 171437794) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID171437794
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC NameN-[(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
SMILESO=C(N[C@H]1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12)C1CCCCO1
InChIInChI=1S/C26H36N2O5/c29-25-17-33-23-8-2-1-6-20(23)18-10-12-19(13-11-18)32-16-22-21(7-5-14-28(22)25)27-26(30)24-9-3-4-15-31-24/h1-2,6,8,18-19,21-22,24H,3-5,7,9-17H2,(H,27,30)/t18?,19?,21-,22?,24?/m0/s1
InChIKeyRILGCFSCFIBKHH-UGXDDMJDSA-N
XLogP3.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N[C@H]1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12)C1CCCCO1.
What is the InChIKey of 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?
The InChIKey is RILGCFSCFIBKHH-UGXDDMJDSA-N. The full InChI is InChI=1S/C26H36N2O5/c29-25-17-33-23-8-2-1-6-20(23)18-10-12-19(13-11-18)32-16-22-21(7-5-14-28(22)25)27-26(30)24-9-3-4-15-31-24/h1-2,6,8,18-19,21-22,24H,3-5,7,9-17H2,(H,27,30)/t18?,19?,21-,22?,24?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 456.58 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171437794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).