3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one

C24H20N2O2 — CID 11326107

IUPAC3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one
SMILESO=C1NCc2c1c1c(c3c2c2ccccc2n3CCCO)Cc2ccccc2-1
InChIInChI=1S/C24H20N2O2/c27-11-5-10-26-19-9-4-3-8-16(19)21-18-13-25-24(28)22(18)20-15-7-2-1-6-14(15)12-17(20)23(21)26/h1-4,6-9,27H,5,10-13H2,(H,25,28)
InChIKeyFPSOEDNEPFYWGP-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.99
Rot. Bonds3

About 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one

3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one (PubChem CID 11326107) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one
PubChem CID11326107
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one
SMILESO=C1NCc2c1c1c(c3c2c2ccccc2n3CCCO)Cc2ccccc2-1
InChIInChI=1S/C24H20N2O2/c27-11-5-10-26-19-9-4-3-8-16(19)21-18-13-25-24(28)22(18)20-15-7-2-1-6-14(15)12-17(20)23(21)26/h1-4,6-9,27H,5,10-13H2,(H,25,28)
InChIKeyFPSOEDNEPFYWGP-UHFFFAOYSA-N
XLogP3.99
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one?
The IUPAC name of 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one (CID 11326107) is 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one?
The canonical SMILES for 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one is O=C1NCc2c1c1c(c3c2c2ccccc2n3CCCO)Cc2ccccc2-1.
What is the InChIKey of 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one?
The InChIKey is FPSOEDNEPFYWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-11-5-10-26-19-9-4-3-8-16(19)21-18-13-25-24(28)22(18)20-15-7-2-1-6-14(15)12-17(20)23(21)26/h1-4,6-9,27H,5,10-13H2,(H,25,28).
What are the key properties of 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one?
3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one has a molecular weight of 368.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-14-one is sourced from PubChem (CID 11326107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).