2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C21H42N4O4 — CID 56550582

IUPAC2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCN(CC(=O)NCCCOC(C)C)C(C)C1
InChIInChI=1S/C21H42N4O4/c1-17(2)28-12-6-8-22-20(26)15-24-10-11-25(19(5)14-24)16-21(27)23-9-7-13-29-18(3)4/h17-19H,6-16H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyBZUWMHYSNRJIBM-UHFFFAOYSA-N
MW414.59 g/mol
LogP0.86
Rot. Bonds14

About 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 56550582) has the molecular formula C21H42N4O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID56550582
Molecular FormulaC21H42N4O4
Molecular Weight414.59 g/mol
Exact Mass414.32
IUPAC Name2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCN(CC(=O)NCCCOC(C)C)C(C)C1
InChIInChI=1S/C21H42N4O4/c1-17(2)28-12-6-8-22-20(26)15-24-10-11-25(19(5)14-24)16-21(27)23-9-7-13-29-18(3)4/h17-19H,6-16H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyBZUWMHYSNRJIBM-UHFFFAOYSA-N
XLogP0.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)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-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 81219632
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
CID 66433883
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 115305282
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 95974806
ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
CID 62028758
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443179
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 56550582) is 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1CCN(CC(=O)NCCCOC(C)C)C(C)C1.
What is the InChIKey of 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is BZUWMHYSNRJIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O4/c1-17(2)28-12-6-8-22-20(26)15-24-10-11-25(19(5)14-24)16-21(27)23-9-7-13-29-18(3)4/h17-19H,6-16H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 414.59 g/mol, XLogP of 0.86, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 56550582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).