8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide

C28H26N2O3 — CID 71162127

IUPAC8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide
SMILESCC(C)(C)NC(=O)C1c2occc2-c2c(ccc3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H26N2O3/c1-28(2,3)29-26(31)24-25-21(15-16-33-25)23-20-12-8-7-11-19(20)13-14-22(23)27(32)30(24)17-18-9-5-4-6-10-18/h4-16,24H,17H2,1-3H3,(H,29,31)
InChIKeyBIOPMTXQXJQOJW-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.71
Rot. Bonds3

About 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide

8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide (PubChem CID 71162127) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide.

Molecular Properties

Compound Name8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide
PubChem CID71162127
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide
SMILESCC(C)(C)NC(=O)C1c2occc2-c2c(ccc3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H26N2O3/c1-28(2,3)29-26(31)24-25-21(15-16-33-25)23-20-12-8-7-11-19(20)13-14-22(23)27(32)30(24)17-18-9-5-4-6-10-18/h4-16,24H,17H2,1-3H3,(H,29,31)
InChIKeyBIOPMTXQXJQOJW-UHFFFAOYSA-N
XLogP5.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide 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 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide?
The IUPAC name of 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide (CID 71162127) is 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide.
What is the SMILES notation for 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide?
The canonical SMILES for 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide is CC(C)(C)NC(=O)C1c2occc2-c2c(ccc3ccccc23)C(=O)N1Cc1ccccc1.
What is the InChIKey of 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide?
The InChIKey is BIOPMTXQXJQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-28(2,3)29-26(31)24-25-21(15-16-33-25)23-20-12-8-7-11-19(20)13-14-22(23)27(32)30(24)17-18-9-5-4-6-10-18/h4-16,24H,17H2,1-3H3,(H,29,31).
What are the key properties of 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide?
8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide is sourced from PubChem (CID 71162127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).