(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide

C28H33N3O3 — CID 44513483

IUPAC(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESCN(C)CCN1C[C@H](OCc2ccccc2)CC1C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C28H33N3O3/c1-30(2)17-18-31-20-24(33-21-22-11-5-3-6-12-22)19-26(31)28(32)29-25-15-9-10-16-27(25)34-23-13-7-4-8-14-23/h3-16,24,26H,17-21H2,1-2H3,(H,29,32)/t24-,26?/m1/s1
InChIKeyHXYKMTPSJAAJBT-RMVMEJTISA-N
MW459.59 g/mol
LogP4.64
Rot. Bonds10

About (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide

(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 44513483) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID44513483
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESCN(C)CCN1C[C@H](OCc2ccccc2)CC1C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C28H33N3O3/c1-30(2)17-18-31-20-24(33-21-22-11-5-3-6-12-22)19-26(31)28(32)29-25-15-9-10-16-27(25)34-23-13-7-4-8-14-23/h3-16,24,26H,17-21H2,1-2H3,(H,29,32)/t24-,26?/m1/s1
InChIKeyHXYKMTPSJAAJBT-RMVMEJTISA-N
XLogP4.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide (CID 44513483) is (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide is CN(C)CCN1C[C@H](OCc2ccccc2)CC1C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is HXYKMTPSJAAJBT-RMVMEJTISA-N. The full InChI is InChI=1S/C28H33N3O3/c1-30(2)17-18-31-20-24(33-21-22-11-5-3-6-12-22)19-26(31)28(32)29-25-15-9-10-16-27(25)34-23-13-7-4-8-14-23/h3-16,24,26H,17-21H2,1-2H3,(H,29,32)/t24-,26?/m1/s1.
What are the key properties of (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 44513483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).