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

C35H48N2O — CID 10279305

IUPACN-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H48N2O/c1-4-7-11-14-30-17-23-34(24-18-30)35(38)37(28-27-36(25-8-5-2)26-9-6-3)29-31-19-21-33(22-20-31)32-15-12-10-13-16-32/h10,12-13,15-24H,4-9,11,14,25-29H2,1-3H3
InChIKeyWWGXCRCPDYTLGA-UHFFFAOYSA-N
MW512.78 g/mol
LogP8.63
Rot. Bonds17

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

N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide (PubChem CID 10279305) has the molecular formula C35H48N2O and a molecular weight of 512.78 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
PubChem CID10279305
Molecular FormulaC35H48N2O
Molecular Weight512.78 g/mol
Exact Mass512.38
IUPAC NameN-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H48N2O/c1-4-7-11-14-30-17-23-34(24-18-30)35(38)37(28-27-36(25-8-5-2)26-9-6-3)29-31-19-21-33(22-20-31)32-15-12-10-13-16-32/h10,12-13,15-24H,4-9,11,14,25-29H2,1-3H3
InChIKeyWWGXCRCPDYTLGA-UHFFFAOYSA-N
XLogP8.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylphenyl)methyl]benzamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide (CID 10279305) is N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide is CCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
The InChIKey is WWGXCRCPDYTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2O/c1-4-7-11-14-30-17-23-34(24-18-30)35(38)37(28-27-36(25-8-5-2)26-9-6-3)29-31-19-21-33(22-20-31)32-15-12-10-13-16-32/h10,12-13,15-24H,4-9,11,14,25-29H2,1-3H3.
What are the key properties of N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide has a molecular weight of 512.78 g/mol, XLogP of 8.63, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 10279305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).