4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

C15H22N2O3 — CID 47437380

IUPAC4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17-14(19)12-7-5-11(6-8-12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZWWYTQYKQHAFBE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 47437380) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID47437380
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17-14(19)12-7-5-11(6-8-12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZWWYTQYKQHAFBE-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide 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-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 38254442
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 47437380) is 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is ZWWYTQYKQHAFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)17-14(19)12-7-5-11(6-8-12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 47437380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).