3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one

C26H24N2O3 — CID 24971433

IUPAC3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one
SMILESCOc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCCO)c13)CNC2=O
InChIInChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30)
InChIKeySRZPGKHRQCVEAS-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.19
Rot. Bonds4

About 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one

3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one (PubChem CID 24971433) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one
PubChem CID24971433
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one
SMILESCOc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCCO)c13)CNC2=O
InChIInChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30)
InChIKeySRZPGKHRQCVEAS-UHFFFAOYSA-N
XLogP4.19
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
The IUPAC name of 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one (CID 24971433) is 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
The canonical SMILES for 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one is COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCCO)c13)CNC2=O.
What is the InChIKey of 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
The InChIKey is SRZPGKHRQCVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30).
What are the key properties of 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one has a molecular weight of 412.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one is sourced from PubChem (CID 24971433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).