3-amino-4-(ethylamino)benzamide

C9H13N3O — CID 43448330

IUPAC3-amino-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H13N3O/c1-2-12-8-4-3-6(9(11)13)5-7(8)10/h3-5,12H,2,10H2,1H3,(H2,11,13)
InChIKeyLWWJJTQLCSNCQU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.80
Rot. Bonds3

About 3-amino-4-(ethylamino)benzamide

3-amino-4-(ethylamino)benzamide (PubChem CID 43448330) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-amino-4-(ethylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(ethylamino)benzamide
PubChem CID43448330
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-amino-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H13N3O/c1-2-12-8-4-3-6(9(11)13)5-7(8)10/h3-5,12H,2,10H2,1H3,(H2,11,13)
InChIKeyLWWJJTQLCSNCQU-UHFFFAOYSA-N
XLogP0.80
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(3-ethylpentan-3-ylamino)benzamide
CID 65039779
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115599
3-amino-4-(2,3-dihydroxypropylamino)benzamide
CID 66176345
3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113803
3-amino-4-(3-methylsulfinylpropylamino)benzamide
CID 113487205
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(ethylamino)benzamide?
The IUPAC name of 3-amino-4-(ethylamino)benzamide (CID 43448330) is 3-amino-4-(ethylamino)benzamide.
What is the SMILES notation for 3-amino-4-(ethylamino)benzamide?
The canonical SMILES for 3-amino-4-(ethylamino)benzamide is CCNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(ethylamino)benzamide?
The InChIKey is LWWJJTQLCSNCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-8-4-3-6(9(11)13)5-7(8)10/h3-5,12H,2,10H2,1H3,(H2,11,13).
What are the key properties of 3-amino-4-(ethylamino)benzamide?
3-amino-4-(ethylamino)benzamide has a molecular weight of 179.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(ethylamino)benzamide is sourced from PubChem (CID 43448330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).