2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide

C20H31N3O2 — CID 166932275

IUPAC2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide
SMILESCCC(CC)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-3-20(4-2,17-8-6-5-7-9-17)14-22-19(25)18(21)16-10-12-23(15-24)13-11-16/h5-9,15-16,18H,3-4,10-14,21H2,1-2H3,(H,22,25)
InChIKeyPUKHZKUNXGCBTP-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.06
Rot. Bonds8

About 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide

2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide (PubChem CID 166932275) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide
PubChem CID166932275
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide
SMILESCCC(CC)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-3-20(4-2,17-8-6-5-7-9-17)14-22-19(25)18(21)16-10-12-23(15-24)13-11-16/h5-9,15-16,18H,3-4,10-14,21H2,1-2H3,(H,22,25)
InChIKeyPUKHZKUNXGCBTP-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932387
2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932099
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932367
4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
CID 120563575
1-amino-N-(2-ethyl-2-phenylbutyl)cyclopentane-1-carboxamide
CID 119337633
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide
CID 119808350
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide;hydrochloride
CID 119808349
4-[[(2-ethyl-2-phenylbutyl)amino]methyl]benzoic acid
CID 122031703
N-[2-[[N-(2-ethyl-2-phenylbutyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111694422
5-[(2-ethyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685814
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide (CID 166932275) is 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide is CCC(CC)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide?
The InChIKey is PUKHZKUNXGCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-20(4-2,17-8-6-5-7-9-17)14-22-19(25)18(21)16-10-12-23(15-24)13-11-16/h5-9,15-16,18H,3-4,10-14,21H2,1-2H3,(H,22,25).
What are the key properties of 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide?
2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166932275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).