N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide

C14H22N2O4 — CID 128982821

IUPACN-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
SMILESCO[C@H]1C[C@@H](CO)N(CC(=O)N(C)Cc2ccco2)C1
InChIInChI=1S/C14H22N2O4/c1-15(7-12-4-3-5-20-12)14(18)9-16-8-13(19-2)6-11(16)10-17/h3-5,11,13,17H,6-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyBRWOQQMHEMLBRX-AAEUAGOBSA-N
MW282.34 g/mol
LogP0.32
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide

N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide (PubChem CID 128982821) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
PubChem CID128982821
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
SMILESCO[C@H]1C[C@@H](CO)N(CC(=O)N(C)Cc2ccco2)C1
InChIInChI=1S/C14H22N2O4/c1-15(7-12-4-3-5-20-12)14(18)9-16-8-13(19-2)6-11(16)10-17/h3-5,11,13,17H,6-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyBRWOQQMHEMLBRX-AAEUAGOBSA-N
XLogP0.32
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-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

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 115963661
2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 128982918
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219868
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 100711428
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51260677

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide (CID 128982821) is N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide is CO[C@H]1C[C@@H](CO)N(CC(=O)N(C)Cc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is BRWOQQMHEMLBRX-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-15(7-12-4-3-5-20-12)14(18)9-16-8-13(19-2)6-11(16)10-17/h3-5,11,13,17H,6-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 282.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 128982821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).