3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide

C13H20N4O2 — CID 43376086

IUPAC3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
SMILESCN(CC(=O)N(C)C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H20N4O2/c1-16(2)12(18)8-17(3)7-10-5-4-9(13(15)19)6-11(10)14/h4-6H,7-8,14H2,1-3H3,(H2,15,19)
InChIKeyNQKUVRTXCHPGFG-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.11
Rot. Bonds5

About 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide

3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide (PubChem CID 43376086) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
PubChem CID43376086
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
SMILESCN(CC(=O)N(C)C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H20N4O2/c1-16(2)12(18)8-17(3)7-10-5-4-9(13(15)19)6-11(10)14/h4-6H,7-8,14H2,1-3H3,(H2,15,19)
InChIKeyNQKUVRTXCHPGFG-UHFFFAOYSA-N
XLogP-0.11
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.11
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

3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-[(dimethylamino)methyl]benzoic acid
CID 23009719
3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
CID 43587416

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide (CID 43376086) is 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide is CN(CC(=O)N(C)C)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
The InChIKey is NQKUVRTXCHPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)12(18)8-17(3)7-10-5-4-9(13(15)19)6-11(10)14/h4-6H,7-8,14H2,1-3H3,(H2,15,19).
What are the key properties of 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide?
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 43376086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).