N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide

C21H19NO3 — CID 23581884

IUPACN,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C
InChIInChI=1S/C21H19NO3/c1-14-4-3-5-20(15(14)2)21(25)22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h3-13,23-24H,1-2H3
InChIKeyNJUCPSQPZWRTIE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.69
Rot. Bonds3

About N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide

N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide (PubChem CID 23581884) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide
PubChem CID23581884
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C
InChIInChI=1S/C21H19NO3/c1-14-4-3-5-20(15(14)2)21(25)22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h3-13,23-24H,1-2H3
InChIKeyNJUCPSQPZWRTIE-UHFFFAOYSA-N
XLogP4.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.69
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)-2,3-dimethylbenzamide?
The IUPAC name of N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide (CID 23581884) is N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C.
What is the InChIKey of N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide?
The InChIKey is NJUCPSQPZWRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-4-3-5-20(15(14)2)21(25)22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h3-13,23-24H,1-2H3.
What are the key properties of N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide?
N,N-bis(4-hydroxyphenyl)-2,3-dimethylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.69, 3 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)-2,3-dimethylbenzamide is sourced from PubChem (CID 23581884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).