N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide

C17H26N2O2 — CID 110922021

IUPACN-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C17H26N2O2/c1-3-14-6-8-15(9-7-14)11-18(2)17(21)12-19-10-4-5-16(19)13-20/h6-9,16,20H,3-5,10-13H2,1-2H3/t16-/m1/s1
InChIKeyJLIIYFJKTXXOBU-MRXNPFEDSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide

N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 110922021) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID110922021
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C17H26N2O2/c1-3-14-6-8-15(9-7-14)11-18(2)17(21)12-19-10-4-5-16(19)13-20/h6-9,16,20H,3-5,10-13H2,1-2H3/t16-/m1/s1
InChIKeyJLIIYFJKTXXOBU-MRXNPFEDSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572392
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
2-(2-formylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62655146
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95609417

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide (CID 110922021) is N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide is CCc1ccc(CN(C)C(=O)CN2CCC[C@@H]2CO)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is JLIIYFJKTXXOBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-6-8-15(9-7-14)11-18(2)17(21)12-19-10-4-5-16(19)13-20/h6-9,16,20H,3-5,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 110922021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).