N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide

C18H28N2O4 — CID 128983575

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2c(C)cccc2C)C1
InChIInChI=1S/C18H28N2O4/c1-13-5-4-6-14(2)18(13)24-8-7-19-17(22)11-20-10-16(23-3)9-15(20)12-21/h4-6,15-16,21H,7-12H2,1-3H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyLJUCEMGAWOCJJB-JKSUJKDBSA-N
MW336.43 g/mol
LogP0.88
Rot. Bonds8

About N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide

N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide (PubChem CID 128983575) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
PubChem CID128983575
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2c(C)cccc2C)C1
InChIInChI=1S/C18H28N2O4/c1-13-5-4-6-14(2)18(13)24-8-7-19-17(22)11-20-10-16(23-3)9-15(20)12-21/h4-6,15-16,21H,7-12H2,1-3H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyLJUCEMGAWOCJJB-JKSUJKDBSA-N
XLogP0.88
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]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

2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 128982783
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128983572
(3S,4S)-1-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 128987186
N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128982897
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897538
cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94184091
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
3-[1-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101119
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755786
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide (CID 128983575) is N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide is CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2c(C)cccc2C)C1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The InChIKey is LJUCEMGAWOCJJB-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-5-4-6-14(2)18(13)24-8-7-19-17(22)11-20-10-16(23-3)9-15(20)12-21/h4-6,15-16,21H,7-12H2,1-3H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide has a molecular weight of 336.43 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128983575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).