N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide

C22H36N2O2 — CID 66556588

IUPACN-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CN(CC2CCCCC2)CCO1
InChIInChI=1S/C22H36N2O2/c25-22(23-21-18-9-16-8-17(11-18)12-19(21)10-16)20-14-24(6-7-26-20)13-15-4-2-1-3-5-15/h15-21H,1-14H2,(H,23,25)
InChIKeyOUTUWWTWUFZLTL-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.21
Rot. Bonds4

About N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide

N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide (PubChem CID 66556588) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide
PubChem CID66556588
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CN(CC2CCCCC2)CCO1
InChIInChI=1S/C22H36N2O2/c25-22(23-21-18-9-16-8-17(11-18)12-19(21)10-16)20-14-24(6-7-26-20)13-15-4-2-1-3-5-15/h15-21H,1-14H2,(H,23,25)
InChIKeyOUTUWWTWUFZLTL-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(morpholin-4-yl)-4-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)butanamide
CID 4652981
N-(2-adamantyl)-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 24956472
N-(2-adamantyl)morpholine-2-carboxamide
CID 61735725
N-(1-adamantyl)morpholine-2-carboxamide
CID 61737059
N-(2-adamantyl)-2-morpholin-2-ylacetamide
CID 66433783
N-(2-adamantyl)morpholine-2-carboxamide;hydrochloride
CID 68326046
(2S)-N-(5-carbamoyl-2-adamantyl)morpholine-2-carboxamide
CID 68357050
N-[2-methyl-4-(2-methylbutyl)cyclohexyl]morpholine-2-carboxamide
CID 68357099
N-(1-adamantyl)-4-piperidin-4-ylmorpholine-2-carboxamide;dihydrochloride
CID 140053359
4-[2-(1-Adamantyl)ethyl]morpholine-2-carboxamide
CID 49451731
4-[2-(1-Adamantylamino)-2-oxoethyl]morpholine-2-carboxamide
CID 49452272
4-[1-(1-Adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49452380

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide (CID 66556588) is N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CN(CC2CCCCC2)CCO1.
What is the InChIKey of N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide?
The InChIKey is OUTUWWTWUFZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c25-22(23-21-18-9-16-8-17(11-18)12-19(21)10-16)20-14-24(6-7-26-20)13-15-4-2-1-3-5-15/h15-21H,1-14H2,(H,23,25).
What are the key properties of N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide?
N-(2-adamantyl)-4-(cyclohexylmethyl)morpholine-2-carboxamide has a molecular weight of 360.54 g/mol, XLogP of 3.21, 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-(cyclohexylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 66556588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).