N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide

C20H40N4O2 — CID 3258490

IUPACN-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCN1CCN(CCCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H40N4O2/c1-19(2,3)17(25)21-9-7-11-23-13-15-24(16-14-23)12-8-10-22-18(26)20(4,5)6/h7-16H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyIUGOBJZYBODIRT-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.71
Rot. Bonds8

About N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide

N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide (PubChem CID 3258490) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide
PubChem CID3258490
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC NameN-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCN1CCN(CCCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H40N4O2/c1-19(2,3)17(25)21-9-7-11-23-13-15-24(16-14-23)12-8-10-22-18(26)20(4,5)6/h7-16H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyIUGOBJZYBODIRT-UHFFFAOYSA-N
XLogP1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide (CID 3258490) is N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCN1CCN(CCCNC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide?
The InChIKey is IUGOBJZYBODIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-19(2,3)17(25)21-9-7-11-23-13-15-24(16-14-23)12-8-10-22-18(26)20(4,5)6/h7-16H2,1-6H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide?
N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide has a molecular weight of 368.57 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperazin-1-yl]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3258490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).