(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide

C21H25N3O4 — CID 110196892

IUPAC(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H25N3O4/c1-22-20(25)19-12-18(28-17-6-4-3-5-7-17)14-24(19)21(26)23-13-15-8-10-16(27-2)11-9-15/h3-11,18-19H,12-14H2,1-2H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1
InChIKeyUOJDBNUNGHDFJF-RBUKOAKNSA-N
MW383.45 g/mol
LogP2.17
Rot. Bonds6

About (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide

(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide (PubChem CID 110196892) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
PubChem CID110196892
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H25N3O4/c1-22-20(25)19-12-18(28-17-6-4-3-5-7-17)14-24(19)21(26)23-13-15-8-10-16(27-2)11-9-15/h3-11,18-19H,12-14H2,1-2H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1
InChIKeyUOJDBNUNGHDFJF-RBUKOAKNSA-N
XLogP2.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-methoxyethyl)-1-N-[(4-methylphenyl)methyl]-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 171142116
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198235
(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110198415
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198242
(2S,4R)-1-benzoyl-4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 10162374
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502
(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97209324
(2S,4S)-N-methyl-1-(6-methylpyridine-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198263
methyl (2R,4S)-2-methyl-4-[4-(phenylmethoxycarbonylaminomethyl)phenoxy]pyrrolidine-1-carboxylate
CID 57135918
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide (CID 110196892) is (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is UOJDBNUNGHDFJF-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-22-20(25)19-12-18(28-17-6-4-3-5-7-17)14-24(19)21(26)23-13-15-8-10-16(27-2)11-9-15/h3-11,18-19H,12-14H2,1-2H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1.
What are the key properties of (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110196892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).