N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

C20H32N2O2 — CID 124757798

IUPACN-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1CCC[C@@H](C(C)(C)O)C1)c1ccccc1C
InChIInChI=1S/C20H32N2O2/c1-5-22(18-11-7-6-9-16(18)2)19(23)12-14-21-13-8-10-17(15-21)20(3,4)24/h6-7,9,11,17,24H,5,8,10,12-15H2,1-4H3/t17-/m1/s1
InChIKeyXBMWKXJKVAXDNC-QGZVFWFLSA-N
MW332.49 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 124757798) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID124757798
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1CCC[C@@H](C(C)(C)O)C1)c1ccccc1C
InChIInChI=1S/C20H32N2O2/c1-5-22(18-11-7-6-9-16(18)2)19(23)12-14-21-13-8-10-17(15-21)20(3,4)24/h6-7,9,11,17,24H,5,8,10,12-15H2,1-4H3/t17-/m1/s1
InChIKeyXBMWKXJKVAXDNC-QGZVFWFLSA-N
XLogP3.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide
CID 91835004
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
3-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-ethyl-N-(2-methylphenyl)propanamide
CID 50968149
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
N-ethyl-2-(3-hydroxyazetidin-1-yl)-N-(2-methylphenyl)acetamide
CID 63282299
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
N-ethyl-N-(2-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62210137
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 4595418
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 103577314
CID 43558514
CID 43558514
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037
5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (CID 124757798) is N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is CCN(C(=O)CCN1CCC[C@@H](C(C)(C)O)C1)c1ccccc1C.
What is the InChIKey of N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is XBMWKXJKVAXDNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-22(18-11-7-6-9-16(18)2)19(23)12-14-21-13-8-10-17(15-21)20(3,4)24/h6-7,9,11,17,24H,5,8,10,12-15H2,1-4H3/t17-/m1/s1.
What are the key properties of N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 332.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 124757798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).