(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide

C18H25NO3 — CID 128664610

IUPAC(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC12CC3CC(CC(O)(C3)C1)C2)C1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C18H25NO3/c20-15-4-10-2-13(15)14(3-10)16(21)19-17-5-11-1-12(6-17)8-18(22,7-11)9-17/h10-14,22H,1-9H2,(H,19,21)/t10-,11?,12?,13+,14?,17?,18?/m0/s1
InChIKeySPVZIQQJLBLUQC-OPQHDKSQSA-N
MW303.40 g/mol
LogP1.80
Rot. Bonds2

About (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide

(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128664610) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128664610
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC12CC3CC(CC(O)(C3)C1)C2)C1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C18H25NO3/c20-15-4-10-2-13(15)14(3-10)16(21)19-17-5-11-1-12(6-17)8-18(22,7-11)9-17/h10-14,22H,1-9H2,(H,19,21)/t10-,11?,12?,13+,14?,17?,18?/m0/s1
InChIKeySPVZIQQJLBLUQC-OPQHDKSQSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide (CID 128664610) is (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide is O=C(NC12CC3CC(CC(O)(C3)C1)C2)C1C[C@H]2CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SPVZIQQJLBLUQC-OPQHDKSQSA-N. The full InChI is InChI=1S/C18H25NO3/c20-15-4-10-2-13(15)14(3-10)16(21)19-17-5-11-1-12(6-17)8-18(22,7-11)9-17/h10-14,22H,1-9H2,(H,19,21)/t10-,11?,12?,13+,14?,17?,18?/m0/s1.
What are the key properties of (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128664610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).