1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide

C17H22N2O4 — CID 86582260

IUPAC1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1CC=CN1C(=O)C(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H22N2O4/c18-14(21)12-2-1-3-19(12)15(22)13(20)16-5-10-4-11(6-16)8-17(23,7-10)9-16/h1,3,10-12,23H,2,4-9H2,(H2,18,21)
InChIKeyMZWANDJOFJGLCG-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide

1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide (PubChem CID 86582260) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide
PubChem CID86582260
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1CC=CN1C(=O)C(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H22N2O4/c18-14(21)12-2-1-3-19(12)15(22)13(20)16-5-10-4-11(6-16)8-17(23,7-10)9-16/h1,3,10-12,23H,2,4-9H2,(H2,18,21)
InChIKeyMZWANDJOFJGLCG-UHFFFAOYSA-N
XLogP0.49
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 86582407
CID 86582407
CID 86582410
CID 86582410
CID 86582572
CID 86582572
CID 86582573
CID 86582573
CID 117800825
CID 117800825
CID 121286773
CID 121286773
CID 121286774
CID 121286774
CID 121286780
CID 121286780
CID 121286957
CID 121286957
CID 123299042
CID 123299042
CID 140711072
CID 140711072
CID 169432995
CID 169432995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide (CID 86582260) is 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide is NC(=O)C1CC=CN1C(=O)C(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide?
The InChIKey is MZWANDJOFJGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c18-14(21)12-2-1-3-19(12)15(22)13(20)16-5-10-4-11(6-16)8-17(23,7-10)9-16/h1,3,10-12,23H,2,4-9H2,(H2,18,21).
What are the key properties of 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide?
1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 86582260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).