4-amino-3-methoxy-N-propylbenzamide

C11H16N2O2 — CID 67095444

IUPAC4-amino-3-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C11H16N2O2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyWMHFGESPXIDRPO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-3-methoxy-N-propylbenzamide

4-amino-3-methoxy-N-propylbenzamide (PubChem CID 67095444) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-propylbenzamide
PubChem CID67095444
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-amino-3-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C11H16N2O2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyWMHFGESPXIDRPO-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-methoxy-N-propylbenzamide 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-propoxy-N-propylbenzamide
CID 82069804
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
CID 106333049
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-propylbenzamide?
The IUPAC name of 4-amino-3-methoxy-N-propylbenzamide (CID 67095444) is 4-amino-3-methoxy-N-propylbenzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-propylbenzamide?
The canonical SMILES for 4-amino-3-methoxy-N-propylbenzamide is CCCNC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-propylbenzamide?
The InChIKey is WMHFGESPXIDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h4-5,7H,3,6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-3-methoxy-N-propylbenzamide?
4-amino-3-methoxy-N-propylbenzamide has a molecular weight of 208.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 67095444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).