N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide

C24H24N2O4 — CID 9322656

IUPACN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3C)c(O)c2)c(C)c1
InChIInChI=1S/C24H24N2O4/c1-15-8-11-22(17(3)12-15)30-14-23(28)25-18-9-10-20(21(27)13-18)26-24(29)19-7-5-4-6-16(19)2/h4-13,27H,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBURCBHFPWWQPKB-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.59
Rot. Bonds6

About N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide

N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide (PubChem CID 9322656) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide
PubChem CID9322656
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3C)c(O)c2)c(C)c1
InChIInChI=1S/C24H24N2O4/c1-15-8-11-22(17(3)12-15)30-14-23(28)25-18-9-10-20(21(27)13-18)26-24(29)19-7-5-4-6-16(19)2/h4-13,27H,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBURCBHFPWWQPKB-UHFFFAOYSA-N
XLogP4.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
4-tert-butyl-N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-hydroxyphenyl]benzamide
CID 17362970
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(2,4-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 979705
2-chloro-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 35767797
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 59933606

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide (CID 9322656) is N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide is Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3C)c(O)c2)c(C)c1.
What is the InChIKey of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide?
The InChIKey is BURCBHFPWWQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-8-11-22(17(3)12-15)30-14-23(28)25-18-9-10-20(21(27)13-18)26-24(29)19-7-5-4-6-16(19)2/h4-13,27H,14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide?
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-hydroxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 9322656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).