4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide

C13H21N3O2 — CID 104758803

IUPAC4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC(C)(C)OC)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,18-4)8-16-11-7-9(12(17)15-3)5-6-10(11)14/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyMHXDATNBQNAZRS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds5

About 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide

4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide (PubChem CID 104758803) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
PubChem CID104758803
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC(C)(C)OC)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,18-4)8-16-11-7-9(12(17)15-3)5-6-10(11)14/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyMHXDATNBQNAZRS-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-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

methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate
CID 114943924
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
CID 113471567
4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
CID 106426373
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
4-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 114167709
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide (CID 104758803) is 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCC(C)(C)OC)c1.
What is the InChIKey of 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide?
The InChIKey is MHXDATNBQNAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,18-4)8-16-11-7-9(12(17)15-3)5-6-10(11)14/h5-7,16H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide?
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide is sourced from PubChem (CID 104758803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).