N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide

C26H28N4O5 — CID 118885081

IUPACN-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide
SMILESCCNC(=O)CCC1(C)Oc2cc(O)ccc2C2C1=CCn1c(=O)n(-c3ccc(C)cc3)c(=O)n12
InChIInChI=1S/C26H28N4O5/c1-4-27-22(32)11-13-26(3)20-12-14-28-24(33)29(17-7-5-16(2)6-8-17)25(34)30(28)23(20)19-10-9-18(31)15-21(19)35-26/h5-10,12,15,23,31H,4,11,13-14H2,1-3H3,(H,27,32)
InChIKeyRIWMCBXNASJADY-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.41
Rot. Bonds5

About N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide

N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide (PubChem CID 118885081) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide
PubChem CID118885081
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide
SMILESCCNC(=O)CCC1(C)Oc2cc(O)ccc2C2C1=CCn1c(=O)n(-c3ccc(C)cc3)c(=O)n12
InChIInChI=1S/C26H28N4O5/c1-4-27-22(32)11-13-26(3)20-12-14-28-24(33)29(17-7-5-16(2)6-8-17)25(34)30(28)23(20)19-10-9-18(31)15-21(19)35-26/h5-10,12,15,23,31H,4,11,13-14H2,1-3H3,(H,27,32)
InChIKeyRIWMCBXNASJADY-UHFFFAOYSA-N
XLogP2.41
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide 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 N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide?
The IUPAC name of N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide (CID 118885081) is N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide?
The canonical SMILES for N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide is CCNC(=O)CCC1(C)Oc2cc(O)ccc2C2C1=CCn1c(=O)n(-c3ccc(C)cc3)c(=O)n12.
What is the InChIKey of N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide?
The InChIKey is RIWMCBXNASJADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-4-27-22(32)11-13-26(3)20-12-14-28-24(33)29(17-7-5-16(2)6-8-17)25(34)30(28)23(20)19-10-9-18(31)15-21(19)35-26/h5-10,12,15,23,31H,4,11,13-14H2,1-3H3,(H,27,32).
What are the key properties of N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide?
N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide has a molecular weight of 476.53 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-hydroxy-9-methyl-15-(4-methylphenyl)-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-9-yl]propanamide is sourced from PubChem (CID 118885081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).