N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide

C23H30F2N2O2 — CID 66555578

IUPACN-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C23H30F2N2O2/c1-13(16-2-3-19(24)20(25)11-16)27-4-5-29-21(12-27)23(28)26-22-17-7-14-6-15(9-17)10-18(22)8-14/h2-3,11,13-15,17-18,21-22H,4-10,12H2,1H3,(H,26,28)
InChIKeyXIGPVAOXEDABFM-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.67
Rot. Bonds4

About N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide

N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide (PubChem CID 66555578) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide
PubChem CID66555578
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC NameN-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C23H30F2N2O2/c1-13(16-2-3-19(24)20(25)11-16)27-4-5-29-21(12-27)23(28)26-22-17-7-14-6-15(9-17)10-18(22)8-14/h2-3,11,13-15,17-18,21-22H,4-10,12H2,1H3,(H,26,28)
InChIKeyXIGPVAOXEDABFM-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide
CID 134800813
2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 4963135
N-2-adamantyl-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 45221537
3-[(2-Adamantylamino)methyl]-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45231235
N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide
CID 75500629
4-[1-(2-Fluorophenyl)ethyl]morpholine-2-carboxamide
CID 49450852
(2S)-2-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
CID 58641274
2-[(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-oxoethoxy]-N-piperidin-4-ylacetamide
CID 58641375
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 60198138
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-[2-[3-(trifluoromethyl)phenyl]ethyl]morpholin-3-one
CID 60198140
4-[(4-fluorophenyl)methyl]-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 60198146
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 60198147

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide (CID 66555578) is N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide is CC(c1ccc(F)c(F)c1)N1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is XIGPVAOXEDABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c1-13(16-2-3-19(24)20(25)11-16)27-4-5-29-21(12-27)23(28)26-22-17-7-14-6-15(9-17)10-18(22)8-14/h2-3,11,13-15,17-18,21-22H,4-10,12H2,1H3,(H,26,28).
What are the key properties of N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide?
N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.67, 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-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 66555578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).