4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

C30H44N4O2 — CID 2931509

IUPAC4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C30H44N4O2/c1-23(2)25-7-11-27(12-8-25)29(35)31-15-5-17-33-19-21-34(22-20-33)18-6-16-32-30(36)28-13-9-26(10-14-28)24(3)4/h7-14,23-24H,5-6,15-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyGVZFKHPHBATYJJ-UHFFFAOYSA-N
MW492.71 g/mol
LogP4.49
Rot. Bonds12

About 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (PubChem CID 2931509) has the molecular formula C30H44N4O2 and a molecular weight of 492.71 g/mol. Its IUPAC name is 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
PubChem CID2931509
Molecular FormulaC30H44N4O2
Molecular Weight492.71 g/mol
Exact Mass492.35
IUPAC Name4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C30H44N4O2/c1-23(2)25-7-11-27(12-8-25)29(35)31-15-5-17-33-19-21-34(22-20-33)18-6-16-32-30(36)28-13-9-26(10-14-28)24(3)4/h7-14,23-24H,5-6,15-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyGVZFKHPHBATYJJ-UHFFFAOYSA-N
XLogP4.49
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.49
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 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (CID 2931509) is 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is CC(C)c1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is GVZFKHPHBATYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O2/c1-23(2)25-7-11-27(12-8-25)29(35)31-15-5-17-33-19-21-34(22-20-33)18-6-16-32-30(36)28-13-9-26(10-14-28)24(3)4/h7-14,23-24H,5-6,15-22H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 492.71 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 2931509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).