N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide

C24H38N4O2 — CID 16981079

About N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide (PubChem CID 16981079) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide.

Molecular Properties

• Compound Name: N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
• PubChem CID: 16981079
• Molecular Formula: C24H38N4O2
• Molecular Weight: 414.59 g/mol
• Exact Mass: 414.30
• IUPAC Name: N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
• SMILES: CCC(CC)C(=O)NCCCc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C24H38N4O2/c1-7-19(8-2)24(30)25-15-11-14-22-26-20-12-9-10-13-21(20)27(22)16-23(29)28(17(3)4)18(5)6/h9-10,12-13,17-19H,7-8,11,14-16H2,1-6H3,(H,25,30)
• InChIKey: COXDEVCBTRWTGL-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?

The IUPAC name of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide (CID 16981079) is N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide.

What is the SMILES notation for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?

The canonical SMILES for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCCc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C.

What is the InChIKey of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?

The InChIKey is COXDEVCBTRWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-7-19(8-2)24(30)25-15-11-14-22-26-20-12-9-10-13-21(20)27(22)16-23(29)28(17(3)4)18(5)6/h9-10,12-13,17-19H,7-8,11,14-16H2,1-6H3,(H,25,30).

What are the key properties of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide has a molecular weight of 414.59 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide is sourced from PubChem (CID 16981079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).