N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide

C24H25NO — CID 71079379

IUPACN,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(C)cc2)ccc1-c1ccccc1
InChIInChI=1S/C24H25NO/c1-4-25(5-2)24(26)23-17-21(19-13-11-18(3)12-14-19)15-16-22(23)20-9-7-6-8-10-20/h6-17H,4-5H2,1-3H3
InChIKeySYSVZBYAPUQTQE-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.81
Rot. Bonds5

About N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide

N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide (PubChem CID 71079379) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide
PubChem CID71079379
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(C)cc2)ccc1-c1ccccc1
InChIInChI=1S/C24H25NO/c1-4-25(5-2)24(26)23-17-21(19-13-11-18(3)12-14-19)15-16-22(23)20-9-7-6-8-10-20/h6-17H,4-5H2,1-3H3
InChIKeySYSVZBYAPUQTQE-UHFFFAOYSA-N
XLogP5.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide?
The IUPAC name of N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide (CID 71079379) is N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide.
What is the SMILES notation for N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide?
The canonical SMILES for N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide is CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)ccc1-c1ccccc1.
What is the InChIKey of N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide?
The InChIKey is SYSVZBYAPUQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-4-25(5-2)24(26)23-17-21(19-13-11-18(3)12-14-19)15-16-22(23)20-9-7-6-8-10-20/h6-17H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide?
N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide has a molecular weight of 343.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide is sourced from PubChem (CID 71079379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).