N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide

C24H34N2O4 — CID 171437798

IUPACN-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide
SMILESO=C(N[C@H]1CCCN2CCOc3ccccc3C3CCC(CC3)OCC12)C1COC1
InChIInChI=1S/C24H34N2O4/c27-24(18-14-28-15-18)25-21-5-3-11-26-12-13-29-23-6-2-1-4-20(23)17-7-9-19(10-8-17)30-16-22(21)26/h1-2,4,6,17-19,21-22H,3,5,7-16H2,(H,25,27)/t17?,19?,21-,22?/m0/s1
InChIKeyWPBDNNGNBCBEPL-LCXUCLMISA-N
MW414.55 g/mol
LogP2.72
Rot. Bonds2

About N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide

N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide (PubChem CID 171437798) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide
PubChem CID171437798
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC NameN-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide
SMILESO=C(N[C@H]1CCCN2CCOc3ccccc3C3CCC(CC3)OCC12)C1COC1
InChIInChI=1S/C24H34N2O4/c27-24(18-14-28-15-18)25-21-5-3-11-26-12-13-29-23-6-2-1-4-20(23)17-7-9-19(10-8-17)30-16-22(21)26/h1-2,4,6,17-19,21-22H,3,5,7-16H2,(H,25,27)/t17?,19?,21-,22?/m0/s1
InChIKeyWPBDNNGNBCBEPL-LCXUCLMISA-N
XLogP2.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
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
(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
(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
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
(15S,16R)-15-(2-fluoroanilino)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-10-one
CID 171646547

Frequently Asked Questions

What is the IUPAC name of N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide?
The IUPAC name of 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) is N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide.
What is the SMILES notation for N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide?
The canonical SMILES for N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide is O=C(N[C@H]1CCCN2CCOc3ccccc3C3CCC(CC3)OCC12)C1COC1.
What is the InChIKey of N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide?
The InChIKey is WPBDNNGNBCBEPL-LCXUCLMISA-N. The full InChI is InChI=1S/C24H34N2O4/c27-24(18-14-28-15-18)25-21-5-3-11-26-12-13-29-23-6-2-1-4-20(23)17-7-9-19(10-8-17)30-16-22(21)26/h1-2,4,6,17-19,21-22H,3,5,7-16H2,(H,25,27)/t17?,19?,21-,22?/m0/s1.
What are the key properties of N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide?
N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15S)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxetane-3-carboxamide is sourced from PubChem (CID 171437798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).