2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide

C14H22N4O2 — CID 115545191

IUPAC2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
SMILESCCN(CC)C(=O)CN(C)c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H22N4O2/c1-4-18(5-2)12(19)9-17(3)11-8-6-7-10(13(11)15)14(16)20/h6-8H,4-5,9,15H2,1-3H3,(H2,16,20)
InChIKeyVLAJYBPYSNBHTO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds6

About 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide

2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide (PubChem CID 115545191) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
PubChem CID115545191
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
SMILESCCN(CC)C(=O)CN(C)c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H22N4O2/c1-4-18(5-2)12(19)9-17(3)11-8-6-7-10(13(11)15)14(16)20/h6-8H,4-5,9,15H2,1-3H3,(H2,16,20)
InChIKeyVLAJYBPYSNBHTO-UHFFFAOYSA-N
XLogP0.67
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 115546523
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
CID 103959904
2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide
CID 107928670
2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
CID 115544836
2-[(2-amino-2-oxoethyl)-methylamino]benzamide
CID 68633336
2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
CID 78910916
2-(3-chloro-2-cyano-N-methylanilino)-N,N-diethylacetamide
CID 60678246
methyl 2-amino-3-[[2-(ethylamino)-2-oxoethyl]-methylamino]benzoate
CID 115545415

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide?
The IUPAC name of 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide (CID 115545191) is 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide.
What is the SMILES notation for 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide?
The canonical SMILES for 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide is CCN(CC)C(=O)CN(C)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide?
The InChIKey is VLAJYBPYSNBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18(5-2)12(19)9-17(3)11-8-6-7-10(13(11)15)14(16)20/h6-8H,4-5,9,15H2,1-3H3,(H2,16,20).
What are the key properties of 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide?
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide has a molecular weight of 278.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide is sourced from PubChem (CID 115545191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).