4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide

C13H20N4O2 — CID 82989637

IUPAC4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
SMILESCC(=O)NCCNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C13H20N4O2/c1-9(18)15-6-7-16-12-5-4-10(8-11(12)14)13(19)17(2)3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyLFYIZJIVMRCIJF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.52
Rot. Bonds5

About 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide

4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide (PubChem CID 82989637) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
PubChem CID82989637
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
SMILESCC(=O)NCCNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C13H20N4O2/c1-9(18)15-6-7-16-12-5-4-10(8-11(12)14)13(19)17(2)3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyLFYIZJIVMRCIJF-UHFFFAOYSA-N
XLogP0.52
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.52
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

3-amino-4-[2-(dimethylcarbamoylamino)ethylamino]benzoic acid
CID 83115354
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
3-amino-4-[(2-hydroxy-4-methylpentyl)amino]-N,N-dimethylbenzamide
CID 107151184

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide?
The IUPAC name of 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide (CID 82989637) is 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide is CC(=O)NCCNc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide?
The InChIKey is LFYIZJIVMRCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(18)15-6-7-16-12-5-4-10(8-11(12)14)13(19)17(2)3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide?
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide is sourced from PubChem (CID 82989637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).