N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide

C28H32N2O4 — CID 2215899

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide
SMILESCc1ccccc1NC(=O)COc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H32N2O4/c1-20-9-5-7-11-24(20)30-26(31)19-34-25-12-8-6-10-23(25)27(32)29-17-18-33-22-15-13-21(14-16-22)28(2,3)4/h5-16H,17-19H2,1-4H3,(H,29,32)(H,30,31)
InChIKeySSAKQVHPNRTPNJ-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.12
Rot. Bonds9

About N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide (PubChem CID 2215899) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide
PubChem CID2215899
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide
SMILESCc1ccccc1NC(=O)COc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H32N2O4/c1-20-9-5-7-11-24(20)30-26(31)19-34-25-12-8-6-10-23(25)27(32)29-17-18-33-22-15-13-21(14-16-22)28(2,3)4/h5-16H,17-19H2,1-4H3,(H,29,32)(H,30,31)
InChIKeySSAKQVHPNRTPNJ-UHFFFAOYSA-N
XLogP5.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide 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

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168607756
2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150400
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
dimethyl (E)-2-[2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]anilino]but-2-enedioate
CID 168569984
2-[3-(4-tert-butylphenoxy)propoxy]-N-methylbenzamide
CID 52586623
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603710
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylbenzoate
CID 6957833

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide (CID 2215899) is N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide is Cc1ccccc1NC(=O)COc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
The InChIKey is SSAKQVHPNRTPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-20-9-5-7-11-24(20)30-26(31)19-34-25-12-8-6-10-23(25)27(32)29-17-18-33-22-15-13-21(14-16-22)28(2,3)4/h5-16H,17-19H2,1-4H3,(H,29,32)(H,30,31).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide has a molecular weight of 460.57 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-[2-(2-methylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 2215899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).