3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C13H20N2O3 — CID 61109312

IUPAC3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O3/c1-9(8-17-3)15(2)13(16)10-5-6-12(18-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3
InChIKeyVMZSBCQERQAMTK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide

3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 61109312) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID61109312
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O3/c1-9(8-17-3)15(2)13(16)10-5-6-12(18-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3
InChIKeyVMZSBCQERQAMTK-UHFFFAOYSA-N
XLogP1.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide 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-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
4-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 54946736
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
3-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylbenzamide
CID 81475889
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 61109312) is 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is VMZSBCQERQAMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(8-17-3)15(2)13(16)10-5-6-12(18-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 61109312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).