N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide

C24H27FN2O4 — CID 110232981

IUPACN-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
SMILESCOCC(=O)N1CCOC(Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1
InChIInChI=1S/C24H27FN2O4/c1-30-15-22(28)27-12-13-31-24(16-27,23(29)26-20-10-11-20)14-18-4-2-3-5-21(18)17-6-8-19(25)9-7-17/h2-9,20H,10-16H2,1H3,(H,26,29)
InChIKeyQGDMGNOWQPOAII-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.56
Rot. Bonds7

About N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide

N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide (PubChem CID 110232981) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
PubChem CID110232981
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
SMILESCOCC(=O)N1CCOC(Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1
InChIInChI=1S/C24H27FN2O4/c1-30-15-22(28)27-12-13-31-24(16-27,23(29)26-20-10-11-20)14-18-4-2-3-5-21(18)17-6-8-19(25)9-7-17/h2-9,20H,10-16H2,1H3,(H,26,29)
InChIKeyQGDMGNOWQPOAII-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
CID 110232963
(2S)-N-cyclopropyl-4-(2-methoxyacetyl)-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92558344
(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232948
4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide
CID 110232975
2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919
(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 92553084
(2R)-4-(cyclohexanecarbonyl)-N-methyl-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610069
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide (CID 110232981) is N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide is COCC(=O)N1CCOC(Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide?
The InChIKey is QGDMGNOWQPOAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-30-15-22(28)27-12-13-31-24(16-27,23(29)26-20-10-11-20)14-18-4-2-3-5-21(18)17-6-8-19(25)9-7-17/h2-9,20H,10-16H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide?
N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide is sourced from PubChem (CID 110232981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).