2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide

C32H52N2O6 — CID 58311411

IUPAC2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide
SMILESCC(C)(C)CC(=O)C[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)CC(=O)[C@@H]2[C@H]3CC(C)(C)OC3CN2C1=O
InChIInChI=1S/C32H52N2O6/c1-31(2,3)18-23(35)16-22-15-13-11-9-7-6-8-10-12-14-21(28(37)29(33)38)17-25(36)27-24-19-32(4,5)40-26(24)20-34(27)30(22)39/h21-22,24,26-27H,6-20H2,1-5H3,(H2,33,38)/t21-,22-,24+,26?,27+/m1/s1
InChIKeyRDOSVZSIUYJRSF-AGWXCAEWSA-N
MW560.78 g/mol
LogP4.94
Rot. Bonds5

About 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide

2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide (PubChem CID 58311411) has the molecular formula C32H52N2O6 and a molecular weight of 560.78 g/mol. Its IUPAC name is 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide
PubChem CID58311411
Molecular FormulaC32H52N2O6
Molecular Weight560.78 g/mol
Exact Mass560.38
IUPAC Name2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide
SMILESCC(C)(C)CC(=O)C[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)CC(=O)[C@@H]2[C@H]3CC(C)(C)OC3CN2C1=O
InChIInChI=1S/C32H52N2O6/c1-31(2,3)18-23(35)16-22-15-13-11-9-7-6-8-10-12-14-21(28(37)29(33)38)17-25(36)27-24-19-32(4,5)40-26(24)20-34(27)30(22)39/h21-22,24,26-27H,6-20H2,1-5H3,(H2,33,38)/t21-,22-,24+,26?,27+/m1/s1
InChIKeyRDOSVZSIUYJRSF-AGWXCAEWSA-N
XLogP4.94
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.78
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide with MolForge

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Related Compounds

2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-hydroxyacetamide
CID 58311290
2-oxo-2-[(3S,8E,14R,17S,18R)-3,20,20-trimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricos-8-en-14-yl]acetamide
CID 58311302
1-[(3aR,6aR)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl]-2,2-dimethylpropan-1-one
CID 59289389
2-oxo-2-[(3S,14R,17S,18R)-3,20,20-trimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricos-8-en-14-yl]acetamide
CID 123582566

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide?
The IUPAC name of 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide (CID 58311411) is 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide is CC(C)(C)CC(=O)C[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)CC(=O)[C@@H]2[C@H]3CC(C)(C)OC3CN2C1=O.
What is the InChIKey of 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide?
The InChIKey is RDOSVZSIUYJRSF-AGWXCAEWSA-N. The full InChI is InChI=1S/C32H52N2O6/c1-31(2,3)18-23(35)16-22-15-13-11-9-7-6-8-10-12-14-21(28(37)29(33)38)17-25(36)27-24-19-32(4,5)40-26(24)20-34(27)30(22)39/h21-22,24,26-27H,6-20H2,1-5H3,(H2,33,38)/t21-,22-,24+,26?,27+/m1/s1.
What are the key properties of 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide?
2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide has a molecular weight of 560.78 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,14R,17S,18R)-3-(4,4-dimethyl-2-oxopentyl)-20,20-dimethyl-2,16-dioxo-21-oxa-1-azatricyclo[15.6.0.018,22]tricosan-14-yl]-2-oxoacetamide is sourced from PubChem (CID 58311411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).