3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide

C25H26N2O3 — CID 68574507

IUPAC3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)c(Cc2ccccc2)c1)C1NCC(O)C1O
InChIInChI=1S/C25H26N2O3/c1-27(24-23(29)22(28)16-26-24)25(30)19-12-13-21(18-10-6-3-7-11-18)20(15-19)14-17-8-4-2-5-9-17/h2-13,15,22-24,26,28-29H,14,16H2,1H3
InChIKeyHEHCRUILHPYCGY-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.67
Rot. Bonds5

About 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide

3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide (PubChem CID 68574507) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound Name3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide
PubChem CID68574507
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)c(Cc2ccccc2)c1)C1NCC(O)C1O
InChIInChI=1S/C25H26N2O3/c1-27(24-23(29)22(28)16-26-24)25(30)19-12-13-21(18-10-6-3-7-11-18)20(15-19)14-17-8-4-2-5-9-17/h2-13,15,22-24,26,28-29H,14,16H2,1H3
InChIKeyHEHCRUILHPYCGY-UHFFFAOYSA-N
XLogP2.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide?
The IUPAC name of 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide (CID 68574507) is 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide.
What is the SMILES notation for 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide?
The canonical SMILES for 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide is CN(C(=O)c1ccc(-c2ccccc2)c(Cc2ccccc2)c1)C1NCC(O)C1O.
What is the InChIKey of 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide?
The InChIKey is HEHCRUILHPYCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-27(24-23(29)22(28)16-26-24)25(30)19-12-13-21(18-10-6-3-7-11-18)20(15-19)14-17-8-4-2-5-9-17/h2-13,15,22-24,26,28-29H,14,16H2,1H3.
What are the key properties of 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide?
3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 68574507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).