4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide

C14H21N3O2 — CID 64684848

IUPAC4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C14H21N3O2/c1-4-16-13(19)10-5-7-11(8-6-10)17-12(18)9-14(2,3)15/h5-8H,4,9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHKHJZRGMEOFEFX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds5

About 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide

4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide (PubChem CID 64684848) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
PubChem CID64684848
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C14H21N3O2/c1-4-16-13(19)10-5-7-11(8-6-10)17-12(18)9-14(2,3)15/h5-8H,4,9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHKHJZRGMEOFEFX-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide 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

4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide?
The IUPAC name of 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide (CID 64684848) is 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)CC(C)(C)N)cc1.
What is the InChIKey of 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide?
The InChIKey is HKHJZRGMEOFEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16-13(19)10-5-7-11(8-6-10)17-12(18)9-14(2,3)15/h5-8H,4,9,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide?
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 64684848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).