N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide

C25H41N3O3 — CID 2961023

IUPACN-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NC(C(=O)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)
InChIKeyDZFPLIIZILEVQH-UHFFFAOYSA-N
MW431.62 g/mol
LogP2.72
Rot. Bonds7

About N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2961023) has the molecular formula C25H41N3O3 and a molecular weight of 431.62 g/mol. Its IUPAC name is N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2961023
Molecular FormulaC25H41N3O3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC NameN-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NC(C(=O)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)
InChIKeyDZFPLIIZILEVQH-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 2961023) is N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide is O=C(NC(C(=O)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1.
What is the InChIKey of N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is DZFPLIIZILEVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29).
What are the key properties of N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 431.62 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2961023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).