N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide

C25H26N2O3 — CID 67375300

IUPACN-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide
SMILESCN(C(=O)c1ccccc1Cc1ccc(-c2ccccc2)cc1)C1NCC(O)C1O
InChIInChI=1S/C25H26N2O3/c1-27(24-23(29)22(28)16-26-24)25(30)21-10-6-5-9-20(21)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,22-24,26,28-29H,15-16H2,1H3
InChIKeyPOPLKYHMBRFSKU-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.67
Rot. Bonds5

About N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide

N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide (PubChem CID 67375300) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide
PubChem CID67375300
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide
SMILESCN(C(=O)c1ccccc1Cc1ccc(-c2ccccc2)cc1)C1NCC(O)C1O
InChIInChI=1S/C25H26N2O3/c1-27(24-23(29)22(28)16-26-24)25(30)21-10-6-5-9-20(21)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,22-24,26,28-29H,15-16H2,1H3
InChIKeyPOPLKYHMBRFSKU-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

Analyze N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-benzyl-N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-4-phenylbenzamide
CID 68574507
2-[(4-phenylphenyl)methyl]benzoate
CID 2290992
N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
CID 156791791
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332
N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
CID 15983138
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide
CID 133132272

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide?
The IUPAC name of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide (CID 67375300) is N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide is CN(C(=O)c1ccccc1Cc1ccc(-c2ccccc2)cc1)C1NCC(O)C1O.
What is the InChIKey of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide?
The InChIKey is POPLKYHMBRFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-27(24-23(29)22(28)16-26-24)25(30)21-10-6-5-9-20(21)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,22-24,26,28-29H,15-16H2,1H3.
What are the key properties of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide?
N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide 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 N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 67375300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).