N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide

C14H20N2O3 — CID 43596031

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)[C@@H]2CNC[C@H]2O)c1
InChIInChI=1S/C14H20N2O3/c1-16(12-8-15-9-13(12)17)14(18)7-10-4-3-5-11(6-10)19-2/h3-6,12-13,15,17H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyQVXDHCFWLYYAMG-CHWSQXEVSA-N
MW264.32 g/mol
LogP0.03
Rot. Bonds4

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 43596031) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
PubChem CID43596031
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)[C@@H]2CNC[C@H]2O)c1
InChIInChI=1S/C14H20N2O3/c1-16(12-8-15-9-13(12)17)14(18)7-10-4-3-5-11(6-10)19-2/h3-6,12-13,15,17H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyQVXDHCFWLYYAMG-CHWSQXEVSA-N
XLogP0.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide 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-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
N-[(3-bromocyclobutyl)methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 80672473
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 66051422
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
2-(3-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054231
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 93239749

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide (CID 43596031) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(CC(=O)N(C)[C@@H]2CNC[C@H]2O)c1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is QVXDHCFWLYYAMG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(12-8-15-9-13(12)17)14(18)7-10-4-3-5-11(6-10)19-2/h3-6,12-13,15,17H,7-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 264.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 43596031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).