4-amino-3-(3-ethoxypropylamino)benzamide

C12H19N3O2 — CID 63355784

IUPAC4-amino-3-(3-ethoxypropylamino)benzamide
SMILESCCOCCCNc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O2/c1-2-17-7-3-6-15-11-8-9(12(14)16)4-5-10(11)13/h4-5,8,15H,2-3,6-7,13H2,1H3,(H2,14,16)
InChIKeyRYAUBCYALDCDIC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds7

About 4-amino-3-(3-ethoxypropylamino)benzamide

4-amino-3-(3-ethoxypropylamino)benzamide (PubChem CID 63355784) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-(3-ethoxypropylamino)benzamide.

Molecular Properties

Compound Name4-amino-3-(3-ethoxypropylamino)benzamide
PubChem CID63355784
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-3-(3-ethoxypropylamino)benzamide
SMILESCCOCCCNc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O2/c1-2-17-7-3-6-15-11-8-9(12(14)16)4-5-10(11)13/h4-5,8,15H,2-3,6-7,13H2,1H3,(H2,14,16)
InChIKeyRYAUBCYALDCDIC-UHFFFAOYSA-N
XLogP1.21
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
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-(3-ethoxypropylamino)-3-nitrobenzamide
CID 43386231
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
methyl 3-amino-4-(3-ethoxypropylamino)benzoate
CID 61305858
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-amino-3-(6-methylsulfanylhexylamino)benzamide
CID 114124771
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610
ethyl 4-amino-3-[(5-amino-5-oxopentyl)amino]benzoate
CID 106240801
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
CID 106243281

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-ethoxypropylamino)benzamide?
The IUPAC name of 4-amino-3-(3-ethoxypropylamino)benzamide (CID 63355784) is 4-amino-3-(3-ethoxypropylamino)benzamide.
What is the SMILES notation for 4-amino-3-(3-ethoxypropylamino)benzamide?
The canonical SMILES for 4-amino-3-(3-ethoxypropylamino)benzamide is CCOCCCNc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(3-ethoxypropylamino)benzamide?
The InChIKey is RYAUBCYALDCDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-7-3-6-15-11-8-9(12(14)16)4-5-10(11)13/h4-5,8,15H,2-3,6-7,13H2,1H3,(H2,14,16).
What are the key properties of 4-amino-3-(3-ethoxypropylamino)benzamide?
4-amino-3-(3-ethoxypropylamino)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-ethoxypropylamino)benzamide is sourced from PubChem (CID 63355784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).