(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide

C17H23N3O4 — CID 110198215

IUPAC(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c1-18-17(22)20-12-14(24-13-5-3-2-4-6-13)11-15(20)16(21)19-7-9-23-10-8-19/h2-6,14-15H,7-12H2,1H3,(H,18,22)/t14-,15-/m0/s1
InChIKeyKRWWTJKEKQHXCH-GJZGRUSLSA-N
MW333.39 g/mol
LogP0.71
Rot. Bonds3

About (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide

(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide (PubChem CID 110198215) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
PubChem CID110198215
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c1-18-17(22)20-12-14(24-13-5-3-2-4-6-13)11-15(20)16(21)19-7-9-23-10-8-19/h2-6,14-15H,7-12H2,1H3,(H,18,22)/t14-,15-/m0/s1
InChIKeyKRWWTJKEKQHXCH-GJZGRUSLSA-N
XLogP0.71
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110196874
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]-2-phenoxyethanone
CID 110196877
morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
CID 110198675
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198242
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198684
[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198486
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide (CID 110198215) is (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide is CNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
The InChIKey is KRWWTJKEKQHXCH-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-18-17(22)20-12-14(24-13-5-3-2-4-6-13)11-15(20)16(21)19-7-9-23-10-8-19/h2-6,14-15H,7-12H2,1H3,(H,18,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 110198215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).