2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide

C14H21N3O3 — CID 106343706

IUPAC2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C14H21N3O3/c1-4-20-10-7-5-6-9(15)11(10)14(19)17-12(8(2)3)13(16)18/h5-8,12H,4,15H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyPYCRCUDHTFKPFC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide

2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide (PubChem CID 106343706) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
PubChem CID106343706
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C14H21N3O3/c1-4-20-10-7-5-6-9(15)11(10)14(19)17-12(8(2)3)13(16)18/h5-8,12H,4,15H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyPYCRCUDHTFKPFC-UHFFFAOYSA-N
XLogP0.91
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide 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-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
CID 106343673
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide (CID 106343706) is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide?
The InChIKey is PYCRCUDHTFKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-10-7-5-6-9(15)11(10)14(19)17-12(8(2)3)13(16)18/h5-8,12H,4,15H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide?
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide is sourced from PubChem (CID 106343706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).