(2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide

C26H28N2O4 — CID 122227089

IUPAC(2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2NC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-30-22-14-12-21(13-15-22)28-26(29)24-25(32-18-20-10-6-3-7-11-20)23(16-27-24)31-17-19-8-4-2-5-9-19/h2-15,23-25,27H,16-18H2,1H3,(H,28,29)/t23-,24+,25+/m1/s1
InChIKeyXHSPUPIYMUSODA-DSITVLBTSA-N
MW432.52 g/mol
LogP3.78
Rot. Bonds9

About (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide

(2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide (PubChem CID 122227089) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide
PubChem CID122227089
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name(2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2NC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-30-22-14-12-21(13-15-22)28-26(29)24-25(32-18-20-10-6-3-7-11-20)23(16-27-24)31-17-19-8-4-2-5-9-19/h2-15,23-25,27H,16-18H2,1H3,(H,28,29)/t23-,24+,25+/m1/s1
InChIKeyXHSPUPIYMUSODA-DSITVLBTSA-N
XLogP3.78
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2S,3S,4S)-3-hydroxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294747
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
(1R)-1-[(2R,3S,4R)-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]-4-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 11409253
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
(1R,3S,4R)-2-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)cyclohexan-1-ol
CID 90854427
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
2-methyl-3,4,5-tris(phenylmethoxy)piperidine
CID 91043089
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294721

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide (CID 122227089) is (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2NC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide?
The InChIKey is XHSPUPIYMUSODA-DSITVLBTSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-30-22-14-12-21(13-15-22)28-26(29)24-25(32-18-20-10-6-3-7-11-20)23(16-27-24)31-17-19-8-4-2-5-9-19/h2-15,23-25,27H,16-18H2,1H3,(H,28,29)/t23-,24+,25+/m1/s1.
What are the key properties of (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide?
(2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-N-(4-methoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine-2-carboxamide is sourced from PubChem (CID 122227089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).