N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide

C20H30N2O5 — CID 11509113

IUPAC—
SMILESNC(=O)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30N2O5/c21-17(23)11-22-18(24)10-12-1-3-19(4-2-12)25-20(27-26-19)15-6-13-5-14(8-15)9-16(20)7-13/h12-16H,1-11H2,(H2,21,23)(H,22,24)
InChIKeyGRLPMVXPWFPBSO-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.00
Rot. Bonds4

About N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide

N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide (PubChem CID 11509113) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol.

Molecular Properties

Compound NameN-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide
PubChem CID11509113
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name—
SMILESNC(=O)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30N2O5/c21-17(23)11-22-18(24)10-12-1-3-19(4-2-12)25-20(27-26-19)15-6-13-5-14(8-15)9-16(20)7-13/h12-16H,1-11H2,(H2,21,23)(H,22,24)
InChIKeyGRLPMVXPWFPBSO-UHFFFAOYSA-N
XLogP2.00
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide 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-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide?
The IUPAC name of N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide (CID 11509113) is not available.
What is the SMILES notation for N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide?
The canonical SMILES for N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide is NC(=O)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide?
The InChIKey is GRLPMVXPWFPBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c21-17(23)11-22-18(24)10-12-1-3-19(4-2-12)25-20(27-26-19)15-6-13-5-14(8-15)9-16(20)7-13/h12-16H,1-11H2,(H2,21,23)(H,22,24).
What are the key properties of N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide?
N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-Amino-2-oxoethyl)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)acetamide is sourced from PubChem (CID 11509113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).