N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide

C19H28N2O3 — CID 129447502

IUPACN-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O
InChIInChI=1S/C19H28N2O3/c1-20(12-15-6-3-2-4-7-15)19(23)13-21-10-5-8-17(21)16-14-24-11-9-18(16)22/h2-4,6-7,16-18,22H,5,8-14H2,1H3/t16-,17-,18-/m1/s1
InChIKeyOYDXRSWVXGKBQR-KZNAEPCWSA-N
MW332.44 g/mol
LogP1.51
Rot. Bonds5

About N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide

N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 129447502) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
PubChem CID129447502
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O
InChIInChI=1S/C19H28N2O3/c1-20(12-15-6-3-2-4-7-15)19(23)13-21-10-5-8-17(21)16-14-24-11-9-18(16)22/h2-4,6-7,16-18,22H,5,8-14H2,1H3/t16-,17-,18-/m1/s1
InChIKeyOYDXRSWVXGKBQR-KZNAEPCWSA-N
XLogP1.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 129447589
N-benzyl-2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-methylacetamide
CID 129484311
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
CID 56501604
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide (CID 129447502) is N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O.
What is the InChIKey of N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is OYDXRSWVXGKBQR-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20(12-15-6-3-2-4-7-15)19(23)13-21-10-5-8-17(21)16-14-24-11-9-18(16)22/h2-4,6-7,16-18,22H,5,8-14H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide?
N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 332.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 129447502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).