20-cyclopentyloxy-3-(2-hydroxyethyl)-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

C29H28N2O3 — CID 24971435

IUPAC20-cyclopentyloxy-3-(2-hydroxyethyl)-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
SMILESO=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2cc(OC3CCCC3)ccc2-1
InChIInChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)
InChIKeyFNZIPRHNOOCRHH-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.12
Rot. Bonds4

About 20-cyclopentyloxy-3-(2-hydroxyethyl)-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

20-cyclopentyloxy-3-(2-hydroxyethyl)-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 24971435) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 Name20-cyclopentyloxy-3-(2-hydroxyethyl)-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 CID24971435
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC Name20-cyclopentyloxy-3-(2-hydroxyethyl)-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
SMILESO=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2cc(OC3CCCC3)ccc2-1
InChIInChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)
InChIKeyFNZIPRHNOOCRHH-UHFFFAOYSA-N
XLogP5.12
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 24971435) is 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2cc(OC3CCCC3)ccc2-1.
What is the InChIKey of 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 FNZIPRHNOOCRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33).
What are the key properties of 20-cyclopentyloxy-3-(2-hydroxyethyl)-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?
20-cyclopentyloxy-3-(2-hydroxyethyl)-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 452.55 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-cyclopentyloxy-3-(2-hydroxyethyl)-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 24971435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).