2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one

C26H23N3O4 — CID 46918757

IUPAC2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one
SMILESO=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CCOCC1)OCCO3
InChIInChI=1S/C26H23N3O4/c30-26-17-4-2-1-3-16(17)11-22-25-20(15-29(22)26)19(14-28-5-7-31-8-6-28)18-12-23-24(13-21(18)27-25)33-10-9-32-23/h1-4,11-13H,5-10,14-15H2
InChIKeyMNQADWUBOBDXBC-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.18
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one

2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one (PubChem CID 46918757) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one
PubChem CID46918757
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one
SMILESO=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CCOCC1)OCCO3
InChIInChI=1S/C26H23N3O4/c30-26-17-4-2-1-3-16(17)11-22-25-20(15-29(22)26)19(14-28-5-7-31-8-6-28)18-12-23-24(13-21(18)27-25)33-10-9-32-23/h1-4,11-13H,5-10,14-15H2
InChIKeyMNQADWUBOBDXBC-UHFFFAOYSA-N
XLogP3.18
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one (CID 46918757) is 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one is O=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CCOCC1)OCCO3.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one?
The InChIKey is MNQADWUBOBDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-26-17-4-2-1-3-16(17)11-22-25-20(15-29(22)26)19(14-28-5-7-31-8-6-28)18-12-23-24(13-21(18)27-25)33-10-9-32-23/h1-4,11-13H,5-10,14-15H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one?
2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one has a molecular weight of 441.49 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one is sourced from PubChem (CID 46918757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).