N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

C15H22N2O2 — CID 78963793

IUPACN-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)15(19)12-16-9-8-14(18)11-16/h3-7,14,18H,2,8-12H2,1H3/t14-/m1/s1
InChIKeyMPYDVBHCNPFSLH-CQSZACIVSA-N
MW262.35 g/mol
LogP1.10
Rot. Bonds5

About N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 78963793) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID78963793
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)15(19)12-16-9-8-14(18)11-16/h3-7,14,18H,2,8-12H2,1H3/t14-/m1/s1
InChIKeyMPYDVBHCNPFSLH-CQSZACIVSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 111123253
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
N-benzyl-N-(1-cyclopropylethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110879557

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (CID 78963793) is N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](O)C1.
What is the InChIKey of N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is MPYDVBHCNPFSLH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)15(19)12-16-9-8-14(18)11-16/h3-7,14,18H,2,8-12H2,1H3/t14-/m1/s1.
What are the key properties of N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78963793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).