3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one

C17H28N2O2 — CID 115585119

IUPAC3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNC1C2CC3CC(C2)CC1C3)N1CCOCC1
InChIInChI=1S/C17H28N2O2/c20-16(19-3-5-21-6-4-19)1-2-18-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-15,17-18H,1-11H2
InChIKeyWDAREMQQNKSUJR-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.65
Rot. Bonds4

About 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one

3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 115585119) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID115585119
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNC1C2CC3CC(C2)CC1C3)N1CCOCC1
InChIInChI=1S/C17H28N2O2/c20-16(19-3-5-21-6-4-19)1-2-18-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-15,17-18H,1-11H2
InChIKeyWDAREMQQNKSUJR-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinepropionamide, N-1-adamantyl-, monohydrochloride
CID 64233
Adamantan-2-yl-(3-morpholin-4-yl-propyl)-amine
CID 16682464
N-2-adamantyl-2-(4-morpholinyl)acetamide hydrochloride
CID 2941980
N-1-adamantyl-3-(4-morpholinyl)propanamide hydrochloride
CID 64234
Morpholinium, 4-(2-(1-adamantylcarbamoyl)ethyl)-4-methyl-, iodide
CID 64235
N-[3-(4-morpholinyl)propyl]-2-adamantanamine
CID 1599975
N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
CID 3132637
N-(2-adamantyl)-2-morpholin-4-ylacetamide
CID 892512
N-(1-adamantyl)-3-(4-methylmorpholin-4-ium-4-yl)propanamide
CID 64236
4-(morpholin-4-yl)-4-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)butanamide
CID 4652981
N-[1-(adamantan-1-yl)ethyl]-2-(morpholin-4-yl)acetamide
CID 16443393
N-[3-(4-morpholin-4-ylbutylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 45900058

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one (CID 115585119) is 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one is O=C(CCNC1C2CC3CC(C2)CC1C3)N1CCOCC1.
What is the InChIKey of 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is WDAREMQQNKSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(19-3-5-21-6-4-19)1-2-18-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-15,17-18H,1-11H2.
What are the key properties of 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one?
3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115585119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).