N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide

C18H28N2O3 — CID 4652981

IUPACN-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O3/c21-16(1-2-17(22)20-3-5-23-6-4-20)19-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-15,18H,1-11H2,(H,19,21)
InChIKeyVKNGKPHHODLFDS-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.57
Rot. Bonds4

About N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide

N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 4652981) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID4652981
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O3/c21-16(1-2-17(22)20-3-5-23-6-4-20)19-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-15,18H,1-11H2,(H,19,21)
InChIKeyVKNGKPHHODLFDS-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide (CID 4652981) is N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is VKNGKPHHODLFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-16(1-2-17(22)20-3-5-23-6-4-20)19-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-15,18H,1-11H2,(H,19,21).
What are the key properties of N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 320.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 4652981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).