N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide

C23H30N2O3 — CID 7345351

IUPACN-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
SMILESO=C(N[C@@H](C(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H30N2O3/c26-21(19-4-2-1-3-5-19)24-20(22(27)25-6-8-28-9-7-25)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-5,16-18,20H,6-15H2,(H,24,26)/t16?,17?,18?,20-,23?/m0/s1
InChIKeyCURDMKXGNQXQDE-JNCPLXCYSA-N
MW382.50 g/mol
LogP2.86
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide

N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide (PubChem CID 7345351) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
PubChem CID7345351
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
SMILESO=C(N[C@@H](C(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H30N2O3/c26-21(19-4-2-1-3-5-19)24-20(22(27)25-6-8-28-9-7-25)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-5,16-18,20H,6-15H2,(H,24,26)/t16?,17?,18?,20-,23?/m0/s1
InChIKeyCURDMKXGNQXQDE-JNCPLXCYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide (CID 7345351) is N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide is O=C(N[C@@H](C(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide?
The InChIKey is CURDMKXGNQXQDE-JNCPLXCYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-21(19-4-2-1-3-5-19)24-20(22(27)25-6-8-28-9-7-25)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-5,16-18,20H,6-15H2,(H,24,26)/t16?,17?,18?,20-,23?/m0/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide?
N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide is sourced from PubChem (CID 7345351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).