N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C22H28N2O4 — CID 55658200

IUPACN-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCOCCOc1ccc(NC(=O)C(NC(=O)c2ccccc2C)C(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)20(24-21(25)19-8-6-5-7-16(19)3)22(26)23-17-9-11-18(12-10-17)28-14-13-27-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWGTYSJYYGAQPGN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.41
Rot. Bonds9

About N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 55658200) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID55658200
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCOCCOc1ccc(NC(=O)C(NC(=O)c2ccccc2C)C(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)20(24-21(25)19-8-6-5-7-16(19)3)22(26)23-17-9-11-18(12-10-17)28-14-13-27-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWGTYSJYYGAQPGN-UHFFFAOYSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide 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-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
2-(4-bromophenoxy)ethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 18227253
N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 92664875
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 26194169
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
N-[1-[bis(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51163016
N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46421831
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 55658200) is N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is COCCOc1ccc(NC(=O)C(NC(=O)c2ccccc2C)C(C)C)cc1.
What is the InChIKey of N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is WGTYSJYYGAQPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)20(24-21(25)19-8-6-5-7-16(19)3)22(26)23-17-9-11-18(12-10-17)28-14-13-27-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55658200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).