(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C19H28N2O5 — CID 92731028

IUPAC(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(OCC)c(N2C(=O)CC[C@@]2(C)C(=O)NCCOC)c1
InChIInChI=1S/C19H28N2O5/c1-5-25-14-7-8-16(26-6-2)15(13-14)21-17(22)9-10-19(21,3)18(23)20-11-12-24-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,23)/t19-/m0/s1
InChIKeyQUUBNIWEXMYCGP-IBGZPJMESA-N
MW364.44 g/mol
LogP2.13
Rot. Bonds9

About (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92731028) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID92731028
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(OCC)c(N2C(=O)CC[C@@]2(C)C(=O)NCCOC)c1
InChIInChI=1S/C19H28N2O5/c1-5-25-14-7-8-16(26-6-2)15(13-14)21-17(22)9-10-19(21,3)18(23)20-11-12-24-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,23)/t19-/m0/s1
InChIKeyQUUBNIWEXMYCGP-IBGZPJMESA-N
XLogP2.13
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92731028) is (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCOc1ccc(OCC)c(N2C(=O)CC[C@@]2(C)C(=O)NCCOC)c1.
What is the InChIKey of (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QUUBNIWEXMYCGP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-25-14-7-8-16(26-6-2)15(13-14)21-17(22)9-10-19(21,3)18(23)20-11-12-24-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,23)/t19-/m0/s1.
What are the key properties of (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92731028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).