(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide

C24H30N4O3 — CID 66556249

IUPAC(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
SMILESN#Cc1ccc(CN2CCO[C@@H](C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)C2)cc1
InChIInChI=1S/C24H30N4O3/c25-12-15-1-3-16(4-2-15)13-28-5-6-31-20(14-28)22(29)27-21-18-7-17-8-19(21)11-24(9-17,10-18)23(26)30/h1-4,17-21H,5-11,13-14H2,(H2,26,30)(H,27,29)/t17?,18?,19?,20-,21?,24?/m1/s1
InChIKeyJUNSLOPLQFOQHJ-ZEZNOQDWSA-N
MW422.53 g/mol
LogP1.56
Rot. Bonds5

About (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide

(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide (PubChem CID 66556249) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
PubChem CID66556249
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
SMILESN#Cc1ccc(CN2CCO[C@@H](C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)C2)cc1
InChIInChI=1S/C24H30N4O3/c25-12-15-1-3-16(4-2-15)13-28-5-6-31-20(14-28)22(29)27-21-18-7-17-8-19(21)11-24(9-17,10-18)23(26)30/h1-4,17-21H,5-11,13-14H2,(H2,26,30)(H,27,29)/t17?,18?,19?,20-,21?,24?/m1/s1
InChIKeyJUNSLOPLQFOQHJ-ZEZNOQDWSA-N
XLogP1.56
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide (CID 66556249) is (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide is N#Cc1ccc(CN2CCO[C@@H](C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)C2)cc1.
What is the InChIKey of (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
The InChIKey is JUNSLOPLQFOQHJ-ZEZNOQDWSA-N. The full InChI is InChI=1S/C24H30N4O3/c25-12-15-1-3-16(4-2-15)13-28-5-6-31-20(14-28)22(29)27-21-18-7-17-8-19(21)11-24(9-17,10-18)23(26)30/h1-4,17-21H,5-11,13-14H2,(H2,26,30)(H,27,29)/t17?,18?,19?,20-,21?,24?/m1/s1.
What are the key properties of (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide?
(2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-carbamoyl-2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 66556249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).