(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide

C17H25N3O4 — CID 110198415

IUPAC(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCCNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC
InChIInChI=1S/C17H25N3O4/c1-3-18-17(22)20-12-14(24-13-7-5-4-6-8-13)11-15(20)16(21)19-9-10-23-2/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
InChIKeyMHMBBMUTRYPYAT-GJZGRUSLSA-N
MW335.40 g/mol
LogP1.00
Rot. Bonds7

About (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide

(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide (PubChem CID 110198415) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
PubChem CID110198415
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCCNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC
InChIInChI=1S/C17H25N3O4/c1-3-18-17(22)20-12-14(24-13-7-5-4-6-8-13)11-15(20)16(21)19-9-10-23-2/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
InChIKeyMHMBBMUTRYPYAT-GJZGRUSLSA-N
XLogP1.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
2-N-(2-methoxyethyl)-1-N-[(4-methylphenyl)methyl]-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 171142116
(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197066
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380
N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142108
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058
N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142100
(2R,4S)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110196943
(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198401
(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110196927
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
(2S,4S)-1-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide (CID 110198415) is (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide is CCNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC.
What is the InChIKey of (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is MHMBBMUTRYPYAT-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-18-17(22)20-12-14(24-13-7-5-4-6-8-13)11-15(20)16(21)19-9-10-23-2/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110198415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).