N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide

C22H28N2O5 — CID 108541208

IUPACN-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cc(O)cc(O)c2)c(C(C)(C)C)c1
InChIInChI=1S/C22H28N2O5/c1-14-5-6-19(18(9-14)22(2,3)4)29-13-20(27)23-7-8-24-21(28)15-10-16(25)12-17(26)11-15/h5-6,9-12,25-26H,7-8,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyUXXILFBOACXWIJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.63
Rot. Bonds7

About N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide

N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide (PubChem CID 108541208) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
PubChem CID108541208
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cc(O)cc(O)c2)c(C(C)(C)C)c1
InChIInChI=1S/C22H28N2O5/c1-14-5-6-19(18(9-14)22(2,3)4)29-13-20(27)23-7-8-24-21(28)15-10-16(25)12-17(26)11-15/h5-6,9-12,25-26H,7-8,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyUXXILFBOACXWIJ-UHFFFAOYSA-N
XLogP2.63
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 108541196
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 108572463
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108541263
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108572464
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide (CID 108541208) is N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide is Cc1ccc(OCC(=O)NCCNC(=O)c2cc(O)cc(O)c2)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide?
The InChIKey is UXXILFBOACXWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-14-5-6-19(18(9-14)22(2,3)4)29-13-20(27)23-7-8-24-21(28)15-10-16(25)12-17(26)11-15/h5-6,9-12,25-26H,7-8,13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide?
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108541208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).