N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide

C20H34N4O2 — CID 108509043

IUPACN'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCN1CCNCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N4O2/c1-14(20-11-15-8-16(12-20)10-17(9-15)13-20)23-19(26)18(25)22-4-7-24-5-2-21-3-6-24/h14-17,21H,2-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyNXCKTXCFTWTIAF-UHFFFAOYSA-N
MW362.52 g/mol
LogP0.73
Rot. Bonds5

About N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide

N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108509043) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108509043
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCN1CCNCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N4O2/c1-14(20-11-15-8-16(12-20)10-17(9-15)13-20)23-19(26)18(25)22-4-7-24-5-2-21-3-6-24/h14-17,21H,2-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyNXCKTXCFTWTIAF-UHFFFAOYSA-N
XLogP0.73
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide (CID 108509043) is N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide is CC(NC(=O)C(=O)NCCN1CCNCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is NXCKTXCFTWTIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-14(20-11-15-8-16(12-20)10-17(9-15)13-20)23-19(26)18(25)22-4-7-24-5-2-21-3-6-24/h14-17,21H,2-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide?
N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 362.52 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108509043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).