3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide

C12H18N2O3 — CID 43498513

IUPAC3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)CO)cc1N
InChIInChI=1S/C12H18N2O3/c1-12(2,7-15)14-11(16)8-4-5-10(17-3)9(13)6-8/h4-6,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyOZNSTRXWTXHZGB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds4

About 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide (PubChem CID 43498513) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
PubChem CID43498513
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)CO)cc1N
InChIInChI=1S/C12H18N2O3/c1-12(2,7-15)14-11(16)8-4-5-10(17-3)9(13)6-8/h4-6,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyOZNSTRXWTXHZGB-UHFFFAOYSA-N
XLogP0.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide 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

3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
CID 61212548
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
3-amino-N-(N,N'-ditert-butylcarbamimidoyl)-4-methoxybenzamide
CID 138982132
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
3-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxybenzamide
CID 114295158
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 43310728

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide (CID 43498513) is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(C)CO)cc1N.
What is the InChIKey of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide?
The InChIKey is OZNSTRXWTXHZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,7-15)14-11(16)8-4-5-10(17-3)9(13)6-8/h4-6,15H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide?
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 43498513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).