N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide

C23H30FN3O3 — CID 66555228

IUPACN-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide
SMILESO=C(CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1)Nc1ccc(F)cc1
InChIInChI=1S/C23H30FN3O3/c24-18-1-3-19(4-2-18)25-21(28)13-27-5-6-30-20(12-27)23(29)26-22-16-8-14-7-15(10-16)11-17(22)9-14/h1-4,14-17,20,22H,5-13H2,(H,25,28)(H,26,29)
InChIKeyJEYMJOQWCBCXPD-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.41
Rot. Bonds5

About N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide

N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide (PubChem CID 66555228) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide
PubChem CID66555228
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC NameN-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide
SMILESO=C(CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1)Nc1ccc(F)cc1
InChIInChI=1S/C23H30FN3O3/c24-18-1-3-19(4-2-18)25-21(28)13-27-5-6-30-20(12-27)23(29)26-22-16-8-14-7-15(10-16)11-17(22)9-14/h1-4,14-17,20,22H,5-13H2,(H,25,28)(H,26,29)
InChIKeyJEYMJOQWCBCXPD-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
4-[2-oxo-2-(4-phenylanilino)ethyl]morpholine-2-carboxamide
CID 49451499
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42888495
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
CID 55566264
2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
CID 112823323
2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
CID 56911131
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide (CID 66555228) is N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide is O=C(CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1)Nc1ccc(F)cc1.
What is the InChIKey of N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide?
The InChIKey is JEYMJOQWCBCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c24-18-1-3-19(4-2-18)25-21(28)13-27-5-6-30-20(12-27)23(29)26-22-16-8-14-7-15(10-16)11-17(22)9-14/h1-4,14-17,20,22H,5-13H2,(H,25,28)(H,26,29).
What are the key properties of N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide?
N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide is sourced from PubChem (CID 66555228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).