N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide

C30H47N3O4 — CID 14747711

About N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide

N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide (PubChem CID 14747711) has the molecular formula C30H47N3O4 and a molecular weight of 513.72 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide.

Molecular Properties

• Compound Name: N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
• PubChem CID: 14747711
• Molecular Formula: C30H47N3O4
• Molecular Weight: 513.72 g/mol
• Exact Mass: 513.36
• IUPAC Name: N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
• SMILES: CCN(CC)C[C@H](CO)N(CC1CCCCCCC1)C(=O)CCCCOc1ccc2[nH]c(=O)ccc2c1
• InChI: InChI=1S/C30H47N3O4/c1-3-32(4-2)22-26(23-34)33(21-24-12-8-6-5-7-9-13-24)30(36)14-10-11-19-37-27-16-17-28-25(20-27)15-18-29(35)31-28/h15-18,20,24,26,34H,3-14,19,21-23H2,1-2H3,(H,31,35)/t26-/m1/s1
• InChIKey: BBLNXHMKPSZOJE-AREMUKBSSA-N
• XLogP: 4.97
• TPSA: 85.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.72
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

The IUPAC name of N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide (CID 14747711) is N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide.

What is the SMILES notation for N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

The canonical SMILES for N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide is CCN(CC)C[C@H](CO)N(CC1CCCCCCC1)C(=O)CCCCOc1ccc2[nH]c(=O)ccc2c1.

What is the InChIKey of N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

The InChIKey is BBLNXHMKPSZOJE-AREMUKBSSA-N. The full InChI is InChI=1S/C30H47N3O4/c1-3-32(4-2)22-26(23-34)33(21-24-12-8-6-5-7-9-13-24)30(36)14-10-11-19-37-27-16-17-28-25(20-27)15-18-29(35)31-28/h15-18,20,24,26,34H,3-14,19,21-23H2,1-2H3,(H,31,35)/t26-/m1/s1.

What are the key properties of N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide has a molecular weight of 513.72 g/mol, XLogP of 4.97, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide is sourced from PubChem (CID 14747711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).