5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide

C13H21N3O2 — CID 100653033

IUPAC5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
SMILESCCOCCCNc1ccc(N)cc1C(=O)NC
InChIInChI=1S/C13H21N3O2/c1-3-18-8-4-7-16-12-6-5-10(14)9-11(12)13(17)15-2/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,17)
InChIKeyMNYYDMVQLSMOHA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds7

About 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide

5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide (PubChem CID 100653033) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
PubChem CID100653033
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
SMILESCCOCCCNc1ccc(N)cc1C(=O)NC
InChIInChI=1S/C13H21N3O2/c1-3-18-8-4-7-16-12-6-5-10(14)9-11(12)13(17)15-2/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,17)
InChIKeyMNYYDMVQLSMOHA-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
ethyl 5-amino-2-(butylamino)benzoate
CID 61306499
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
5-amino-N-methyl-2-(prop-2-enylamino)benzamide
CID 100639501
methyl 3-amino-4-(3-ethoxypropylamino)benzoate
CID 61305858
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide?
The IUPAC name of 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide (CID 100653033) is 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide is CCOCCCNc1ccc(N)cc1C(=O)NC.
What is the InChIKey of 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide?
The InChIKey is MNYYDMVQLSMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-8-4-7-16-12-6-5-10(14)9-11(12)13(17)15-2/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide?
5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide is sourced from PubChem (CID 100653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).