N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide

C18H28N2O3 — CID 2936422

IUPACN-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCOCC1
InChIInChI=1S/C18H28N2O3/c1-12(16(21)20-2-4-23-5-3-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyHEJWMVPVBFBVFN-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.57
Rot. Bonds3

About N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide

N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide (PubChem CID 2936422) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide
PubChem CID2936422
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCOCC1
InChIInChI=1S/C18H28N2O3/c1-12(16(21)20-2-4-23-5-3-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyHEJWMVPVBFBVFN-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide (CID 2936422) is N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide?
The InChIKey is HEJWMVPVBFBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(16(21)20-2-4-23-5-3-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22).
What are the key properties of N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide?
N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2936422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).