[3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone

C20H30N2O4 — CID 2728838

IUPAC[3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C12CC3CC(C1)CC(C(=O)N1CCOCC1)(C3)C2
InChIInChI=1S/C20H30N2O4/c23-17(21-1-5-25-6-2-21)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22-3-7-26-8-4-22/h15-16H,1-14H2
InChIKeyRMPGOQCQGLNKTE-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.29
Rot. Bonds2

About [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone

[3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone (PubChem CID 2728838) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone
PubChem CID2728838
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name[3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C12CC3CC(C1)CC(C(=O)N1CCOCC1)(C3)C2
InChIInChI=1S/C20H30N2O4/c23-17(21-1-5-25-6-2-21)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22-3-7-26-8-4-22/h15-16H,1-14H2
InChIKeyRMPGOQCQGLNKTE-UHFFFAOYSA-N
XLogP1.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone (CID 2728838) is [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)C12CC3CC(C1)CC(C(=O)N1CCOCC1)(C3)C2.
What is the InChIKey of [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone?
The InChIKey is RMPGOQCQGLNKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-17(21-1-5-25-6-2-21)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22-3-7-26-8-4-22/h15-16H,1-14H2.
What are the key properties of [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone?
[3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone has a molecular weight of 362.47 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholine-4-carbonyl)-1-adamantyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2728838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).