2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol

C27H38N6O4 — CID 56642529

IUPAC2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCC1(C)CCc2c(N3CCOCC3)nc3oc4c(N(CCO)CCN5CCOCC5)ncnc4c3c2C1
InChIInChI=1S/C27H38N6O4/c1-27(2)4-3-19-20(17-27)21-22-23(37-26(21)30-24(19)33-10-15-36-16-11-33)25(29-18-28-22)32(7-12-34)6-5-31-8-13-35-14-9-31/h18,34H,3-17H2,1-2H3
InChIKeyJPPKVWKIBHEEGN-UHFFFAOYSA-N
MW510.64 g/mol
LogP2.25
Rot. Bonds7

About 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol

2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol (PubChem CID 56642529) has the molecular formula C27H38N6O4 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol
PubChem CID56642529
Molecular FormulaC27H38N6O4
Molecular Weight510.64 g/mol
Exact Mass510.30
IUPAC Name2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCC1(C)CCc2c(N3CCOCC3)nc3oc4c(N(CCO)CCN5CCOCC5)ncnc4c3c2C1
InChIInChI=1S/C27H38N6O4/c1-27(2)4-3-19-20(17-27)21-22-23(37-26(21)30-24(19)33-10-15-36-16-11-33)25(29-18-28-22)32(7-12-34)6-5-31-8-13-35-14-9-31/h18,34H,3-17H2,1-2H3
InChIKeyJPPKVWKIBHEEGN-UHFFFAOYSA-N
XLogP2.25
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol?
The IUPAC name of 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol (CID 56642529) is 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol?
The canonical SMILES for 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol is CC1(C)CCc2c(N3CCOCC3)nc3oc4c(N(CCO)CCN5CCOCC5)ncnc4c3c2C1.
What is the InChIKey of 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol?
The InChIKey is JPPKVWKIBHEEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O4/c1-27(2)4-3-19-20(17-27)21-22-23(37-26(21)30-24(19)33-10-15-36-16-11-33)25(29-18-28-22)32(7-12-34)6-5-31-8-13-35-14-9-31/h18,34H,3-17H2,1-2H3.
What are the key properties of 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol?
2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol has a molecular weight of 510.64 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 56642529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).