N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide

C22H28N2O3 — CID 123901979

IUPACN-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC(COC(O)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-17(25)23-14-20-12-13-21(24(20)15-18-8-4-2-5-9-18)16-27-22(26)19-10-6-3-7-11-19/h2-11,20-22,26H,12-16H2,1H3,(H,23,25)
InChIKeyQMXJKZNKEZNWPJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.86
Rot. Bonds8

About N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide

N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 123901979) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID123901979
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC(COC(O)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-17(25)23-14-20-12-13-21(24(20)15-18-8-4-2-5-9-18)16-27-22(26)19-10-6-3-7-11-19/h2-11,20-22,26H,12-16H2,1H3,(H,23,25)
InChIKeyQMXJKZNKEZNWPJ-UHFFFAOYSA-N
XLogP2.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide 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

N-[[(2R,3S,4R,5R)-1-benzyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 118404468
N-[[(2R,3R,4S,5R)-1-benzyl-4-fluoro-3-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 90059668
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111481676
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59134547
methyl (1S,3R,4R)-2-benzyl-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 11043017

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide (CID 123901979) is N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NCC1CCC(COC(O)c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is QMXJKZNKEZNWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(25)23-14-20-12-13-21(24(20)15-18-8-4-2-5-9-18)16-27-22(26)19-10-6-3-7-11-19/h2-11,20-22,26H,12-16H2,1H3,(H,23,25).
What are the key properties of N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide?
N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-5-[[hydroxy(phenyl)methoxy]methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 123901979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).