N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide

C19H28N2O2 — CID 108952293

IUPACN-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-4-16-10-6-7-12-21(16)19(23)14-18(22)20(5-2)17-11-8-9-15(3)13-17/h8-9,11,13,16H,4-7,10,12,14H2,1-3H3
InChIKeyAQROVPXKLAGVLJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide

N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide (PubChem CID 108952293) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
PubChem CID108952293
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-4-16-10-6-7-12-21(16)19(23)14-18(22)20(5-2)17-11-8-9-15(3)13-17/h8-9,11,13,16H,4-7,10,12,14H2,1-3H3
InChIKeyAQROVPXKLAGVLJ-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
N-(3,5-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113168511
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161630
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
The IUPAC name of N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide (CID 108952293) is N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
The canonical SMILES for N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide is CCC1CCCCN1C(=O)CC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
The InChIKey is AQROVPXKLAGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-16-10-6-7-12-21(16)19(23)14-18(22)20(5-2)17-11-8-9-15(3)13-17/h8-9,11,13,16H,4-7,10,12,14H2,1-3H3.
What are the key properties of N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide?
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide has a molecular weight of 316.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108952293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).