3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide

C12H18N4O3 — CID 106234375

IUPAC3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCOCC(N)=O)c(N)c1
InChIInChI=1S/C12H18N4O3/c1-15-12(18)8-2-3-10(9(13)6-8)16-4-5-19-7-11(14)17/h2-3,6,16H,4-5,7,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyVOKAJRDFHBZRNR-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.46
Rot. Bonds7

About 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide

3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide (PubChem CID 106234375) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
PubChem CID106234375
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCOCC(N)=O)c(N)c1
InChIInChI=1S/C12H18N4O3/c1-15-12(18)8-2-3-10(9(13)6-8)16-4-5-19-7-11(14)17/h2-3,6,16H,4-5,7,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyVOKAJRDFHBZRNR-UHFFFAOYSA-N
XLogP-0.46
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
ethyl 4-amino-3-[2-(2-amino-2-oxoethoxy)ethylamino]benzoate
CID 106240841
ethyl 3-amino-4-(2-ethoxyethylamino)benzoate
CID 61313836
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide (CID 106234375) is 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCCOCC(N)=O)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide?
The InChIKey is VOKAJRDFHBZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-12(18)8-2-3-10(9(13)6-8)16-4-5-19-7-11(14)17/h2-3,6,16H,4-5,7,13H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide?
3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of -0.46, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 106234375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).