N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

C17H26N2O2 — CID 115966759

IUPACN-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCC(C(C)O)C1)c1ccccc1C
InChIInChI=1S/C17H26N2O2/c1-4-19(16-8-6-5-7-13(16)2)17(21)12-18-10-9-15(11-18)14(3)20/h5-8,14-15,20H,4,9-12H2,1-3H3
InChIKeyHJZXUQGRDPZMND-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds5

About N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 115966759) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID115966759
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCC(C(C)O)C1)c1ccccc1C
InChIInChI=1S/C17H26N2O2/c1-4-19(16-8-6-5-7-13(16)2)17(21)12-18-10-9-15(11-18)14(3)20/h5-8,14-15,20H,4,9-12H2,1-3H3
InChIKeyHJZXUQGRDPZMND-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
N-ethyl-2-(3-hydroxyazetidin-1-yl)-N-(2-methylphenyl)acetamide
CID 63282299
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 103577314
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 55464520
N-cyclopentyl-N-cyclopropyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020360
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119925384
N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 124757798
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
CID 55739191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 115966759) is N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is CCN(C(=O)CN1CCC(C(C)O)C1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is HJZXUQGRDPZMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(16-8-6-5-7-13(16)2)17(21)12-18-10-9-15(11-18)14(3)20/h5-8,14-15,20H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 115966759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).