N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide

C34H47N3O — CID 11237615

IUPACN-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C34H47N3O/c1-4-7-10-13-29-15-21-32(22-16-29)34(38)37(27-26-36(24-8-5-2)25-9-6-3)28-30-17-19-31(20-18-30)33-14-11-12-23-35-33/h11-12,14-23H,4-10,13,24-28H2,1-3H3
InChIKeyZPFPLOXODDMUQP-UHFFFAOYSA-N
MW513.77 g/mol
LogP8.03
Rot. Bonds17

About N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide

N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide (PubChem CID 11237615) has the molecular formula C34H47N3O and a molecular weight of 513.77 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide
PubChem CID11237615
Molecular FormulaC34H47N3O
Molecular Weight513.77 g/mol
Exact Mass513.37
IUPAC NameN-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C34H47N3O/c1-4-7-10-13-29-15-21-32(22-16-29)34(38)37(27-26-36(24-8-5-2)25-9-6-3)28-30-17-19-31(20-18-30)33-14-11-12-23-35-33/h11-12,14-23H,4-10,13,24-28H2,1-3H3
InChIKeyZPFPLOXODDMUQP-UHFFFAOYSA-N
XLogP8.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.77
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide (CID 11237615) is N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide is CCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide?
The InChIKey is ZPFPLOXODDMUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N3O/c1-4-7-10-13-29-15-21-32(22-16-29)34(38)37(27-26-36(24-8-5-2)25-9-6-3)28-30-17-19-31(20-18-30)33-14-11-12-23-35-33/h11-12,14-23H,4-10,13,24-28H2,1-3H3.
What are the key properties of N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide?
N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide has a molecular weight of 513.77 g/mol, XLogP of 8.03, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-pyridin-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 11237615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).