N,N-bis(4-hydroxyphenyl)-4-propylbenzamide

C22H21NO3 — CID 23582528

IUPACN,N-bis(4-hydroxyphenyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21NO3/c1-2-3-16-4-6-17(7-5-16)22(26)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h4-15,24-25H,2-3H2,1H3
InChIKeyLJMYQSJCZOBGHG-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.03
Rot. Bonds5

About N,N-bis(4-hydroxyphenyl)-4-propylbenzamide

N,N-bis(4-hydroxyphenyl)-4-propylbenzamide (PubChem CID 23582528) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N,N-bis(4-hydroxyphenyl)-4-propylbenzamide.

Molecular Properties

Compound NameN,N-bis(4-hydroxyphenyl)-4-propylbenzamide
PubChem CID23582528
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN,N-bis(4-hydroxyphenyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21NO3/c1-2-3-16-4-6-17(7-5-16)22(26)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h4-15,24-25H,2-3H2,1H3
InChIKeyLJMYQSJCZOBGHG-UHFFFAOYSA-N
XLogP5.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-hydroxyphenyl)-4-propylbenzamide?
The IUPAC name of N,N-bis(4-hydroxyphenyl)-4-propylbenzamide (CID 23582528) is N,N-bis(4-hydroxyphenyl)-4-propylbenzamide.
What is the SMILES notation for N,N-bis(4-hydroxyphenyl)-4-propylbenzamide?
The canonical SMILES for N,N-bis(4-hydroxyphenyl)-4-propylbenzamide is CCCc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of N,N-bis(4-hydroxyphenyl)-4-propylbenzamide?
The InChIKey is LJMYQSJCZOBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-2-3-16-4-6-17(7-5-16)22(26)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h4-15,24-25H,2-3H2,1H3.
What are the key properties of N,N-bis(4-hydroxyphenyl)-4-propylbenzamide?
N,N-bis(4-hydroxyphenyl)-4-propylbenzamide has a molecular weight of 347.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-hydroxyphenyl)-4-propylbenzamide is sourced from PubChem (CID 23582528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).