4-amino-N-(3-aminopropyl)-3-methoxybenzamide

C11H17N3O2 — CID 89121865

IUPAC4-amino-N-(3-aminopropyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCN)ccc1N
InChIInChI=1S/C11H17N3O2/c1-16-10-7-8(3-4-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6,12-13H2,1H3,(H,14,15)
InChIKeyLWCNVMTZTGGNSR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.36
Rot. Bonds5

About 4-amino-N-(3-aminopropyl)-3-methoxybenzamide

4-amino-N-(3-aminopropyl)-3-methoxybenzamide (PubChem CID 89121865) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-N-(3-aminopropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(3-aminopropyl)-3-methoxybenzamide
PubChem CID89121865
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-amino-N-(3-aminopropyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCN)ccc1N
InChIInChI=1S/C11H17N3O2/c1-16-10-7-8(3-4-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6,12-13H2,1H3,(H,14,15)
InChIKeyLWCNVMTZTGGNSR-UHFFFAOYSA-N
XLogP0.36
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
CID 106333049
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-aminopropyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(3-aminopropyl)-3-methoxybenzamide (CID 89121865) is 4-amino-N-(3-aminopropyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(3-aminopropyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(3-aminopropyl)-3-methoxybenzamide is COc1cc(C(=O)NCCCN)ccc1N.
What is the InChIKey of 4-amino-N-(3-aminopropyl)-3-methoxybenzamide?
The InChIKey is LWCNVMTZTGGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-10-7-8(3-4-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6,12-13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(3-aminopropyl)-3-methoxybenzamide?
4-amino-N-(3-aminopropyl)-3-methoxybenzamide has a molecular weight of 223.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-aminopropyl)-3-methoxybenzamide is sourced from PubChem (CID 89121865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).