N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide

C23H22N2O5 — CID 151961601

IUPACN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(O)cc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C23H22N2O5/c1-24(2)22(29)16-5-7-17(8-6-16)25(14-15-3-9-18(26)10-4-15)23(30)20-12-11-19(27)13-21(20)28/h3-13,26-28H,14H2,1-2H3
InChIKeyTYTXGPAMIGYEGN-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide

N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 151961601) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID151961601
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(O)cc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C23H22N2O5/c1-24(2)22(29)16-5-7-17(8-6-16)25(14-15-3-9-18(26)10-4-15)23(30)20-12-11-19(27)13-21(20)28/h3-13,26-28H,14H2,1-2H3
InChIKeyTYTXGPAMIGYEGN-UHFFFAOYSA-N
XLogP3.35
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide (CID 151961601) is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide is CN(C)C(=O)c1ccc(N(Cc2ccc(O)cc2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is TYTXGPAMIGYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-24(2)22(29)16-5-7-17(8-6-16)25(14-15-3-9-18(26)10-4-15)23(30)20-12-11-19(27)13-21(20)28/h3-13,26-28H,14H2,1-2H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide?
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide has a molecular weight of 406.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 151961601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).