N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide

C43H73N3O4 — CID 140786015

IUPACN-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C43H73N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-45(35-29-24-22-20-18-16-14-12-10-8-6-4-2)37-41(48)44-39-32-33-42(49)46(43(39)50)36-40(47)38-30-26-25-27-31-38/h25-27,30-31,39H,3-24,28-29,32-37H2,1-2H3,(H,44,48)
InChIKeyXEWHDVYQQCJQGN-UHFFFAOYSA-N
MW696.07 g/mol
LogP10.21
Rot. Bonds32

About N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide

N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide (PubChem CID 140786015) has the molecular formula C43H73N3O4 and a molecular weight of 696.07 g/mol. Its IUPAC name is N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide
PubChem CID140786015
Molecular FormulaC43H73N3O4
Molecular Weight696.07 g/mol
Exact Mass695.56
IUPAC NameN-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C43H73N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-45(35-29-24-22-20-18-16-14-12-10-8-6-4-2)37-41(48)44-39-32-33-42(49)46(43(39)50)36-40(47)38-30-26-25-27-31-38/h25-27,30-31,39H,3-24,28-29,32-37H2,1-2H3,(H,44,48)
InChIKeyXEWHDVYQQCJQGN-UHFFFAOYSA-N
XLogP10.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.07
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]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

N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
CID 144975524
didecyl-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]-methylazanium iodide
CID 129113165
2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide
CID 144975528
tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate
CID 129143522
1-phenacylpyrrolidine-2,5-dione
CID 717114
6-butyl-3-phenacyl-1,3-diazabicyclo[3.1.0]hexane-2,4-dione
CID 11108912
benzoic acid;N,N-dioctyloctan-1-amine
CID 68632101
N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
CID 46887933
2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 53238391
2-[[(3S)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-8-(dibutylamino)octanoic acid
CID 54156724
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]benzamide
CID 60689022
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide?
The IUPAC name of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide (CID 140786015) is N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide?
The canonical SMILES for N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide?
The InChIKey is XEWHDVYQQCJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H73N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-45(35-29-24-22-20-18-16-14-12-10-8-6-4-2)37-41(48)44-39-32-33-42(49)46(43(39)50)36-40(47)38-30-26-25-27-31-38/h25-27,30-31,39H,3-24,28-29,32-37H2,1-2H3,(H,44,48).
What are the key properties of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide?
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide has a molecular weight of 696.07 g/mol, XLogP of 10.21, 32 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide is sourced from PubChem (CID 140786015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).