2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide

C21H23N3O5 — CID 110211148

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide
SMILESC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CN1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C21H23N3O5/c1-11(9-23-14-4-2-3-5-15(14)29-21(23)28)22-16(25)10-24-19(26)17-12-6-7-13(8-12)18(17)20(24)27/h2-5,11-13,17-18H,6-10H2,1H3,(H,22,25)/t11-,12?,13?,17?,18?/m1/s1
InChIKeyFNTXZIDIIRDDAK-KWAMMNBUSA-N
MW397.43 g/mol
LogP1.13
Rot. Bonds5

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide (PubChem CID 110211148) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide
PubChem CID110211148
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide
SMILESC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CN1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C21H23N3O5/c1-11(9-23-14-4-2-3-5-15(14)29-21(23)28)22-16(25)10-24-19(26)17-12-6-7-13(8-12)18(17)20(24)27/h2-5,11-13,17-18H,6-10H2,1H3,(H,22,25)/t11-,12?,13?,17?,18?/m1/s1
InChIKeyFNTXZIDIIRDDAK-KWAMMNBUSA-N
XLogP1.13
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 98296829
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
CID 95856797
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]pyrazine-2-carboxamide
CID 95856781
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(3-hydroxyphenyl)acetamide
CID 126210848
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide (CID 110211148) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide is C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CN1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide?
The InChIKey is FNTXZIDIIRDDAK-KWAMMNBUSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-11(9-23-14-4-2-3-5-15(14)29-21(23)28)22-16(25)10-24-19(26)17-12-6-7-13(8-12)18(17)20(24)27/h2-5,11-13,17-18H,6-10H2,1H3,(H,22,25)/t11-,12?,13?,17?,18?/m1/s1.
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 110211148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).