4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide

C13H21N3O2 — CID 114276991

IUPAC4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide
SMILESCON(CC(C)(C)C)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-13(2,3)8-16(18-4)11-7-9(12(15)17)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H2,15,17)
InChIKeyLUNFZZPSQCNROF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds4

About 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide

4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide (PubChem CID 114276991) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide
PubChem CID114276991
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide
SMILESCON(CC(C)(C)C)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-13(2,3)8-16(18-4)11-7-9(12(15)17)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H2,15,17)
InChIKeyLUNFZZPSQCNROF-UHFFFAOYSA-N
XLogP1.78
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]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

4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 63356484
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79680114
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
4-amino-3-[2-cyanoethyl(ethyl)amino]benzamide
CID 63356818
4-amino-3-(dimethylamino)benzoic acid
CID 82785522

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide?
The IUPAC name of 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide (CID 114276991) is 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide.
What is the SMILES notation for 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide?
The canonical SMILES for 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide is CON(CC(C)(C)C)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide?
The InChIKey is LUNFZZPSQCNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)8-16(18-4)11-7-9(12(15)17)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H2,15,17).
What are the key properties of 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide?
4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide is sourced from PubChem (CID 114276991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).