(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide

C25H29FN2O3 — CID 92553084

IUPAC(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
SMILESCC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H29FN2O3/c1-17(2)23(29)28-11-12-31-25(16-28,24(30)27-22-9-10-22)15-18-5-3-6-19(13-18)20-7-4-8-21(26)14-20/h3-8,13-14,17,22H,9-12,15-16H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyPVTRMUCKLRHWRL-VWLOTQADSA-N
MW424.52 g/mol
LogP3.57
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide

(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide (PubChem CID 92553084) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
PubChem CID92553084
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
SMILESCC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H29FN2O3/c1-17(2)23(29)28-11-12-31-25(16-28,24(30)27-22-9-10-22)15-18-5-3-6-19(13-18)20-7-4-8-21(26)14-20/h3-8,13-14,17,22H,9-12,15-16H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyPVTRMUCKLRHWRL-VWLOTQADSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 95848920
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578984
(2S)-N-cyclopropyl-4-(2-methoxyacetyl)-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92558344
(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92551794
N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233032
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
CID 110232981
(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849059
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide (CID 92553084) is (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide is CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
The InChIKey is PVTRMUCKLRHWRL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-17(2)23(29)28-11-12-31-25(16-28,24(30)27-22-9-10-22)15-18-5-3-6-19(13-18)20-7-4-8-21(26)14-20/h3-8,13-14,17,22H,9-12,15-16H2,1-2H3,(H,27,30)/t25-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide is sourced from PubChem (CID 92553084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).