(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

C17H24N2O5 — CID 110198236

IUPAC(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)COCCOC
InChIInChI=1S/C17H24N2O5/c1-18-17(21)15-10-14(24-13-6-4-3-5-7-13)11-19(15)16(20)12-23-9-8-22-2/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyCQBOCSKFIWHYLX-GJZGRUSLSA-N
MW336.39 g/mol
LogP0.44
Rot. Bonds8

About (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110198236) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110198236
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)COCCOC
InChIInChI=1S/C17H24N2O5/c1-18-17(21)15-10-14(24-13-6-4-3-5-7-13)11-19(15)16(20)12-23-9-8-22-2/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyCQBOCSKFIWHYLX-GJZGRUSLSA-N
XLogP0.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198242
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380
(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110196892
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 110198586
(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110198415
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(2S,4S)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198273
(2S,4S)-N-methyl-1-(6-methylpyridine-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198263
(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198235
(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198272
N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142108

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide (CID 110198236) is (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)COCCOC.
What is the InChIKey of (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is CQBOCSKFIWHYLX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-18-17(21)15-10-14(24-13-6-4-3-5-7-13)11-19(15)16(20)12-23-9-8-22-2/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).