2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C13H19N3O3 — CID 106913718

IUPAC2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C13H19N3O3/c1-15-12(17)6-7-16(2)13(18)10-8-9(19-3)4-5-11(10)14/h4-5,8H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyWFQYZYYPUUSZAI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.49
Rot. Bonds5

About 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913718) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913718
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C13H19N3O3/c1-15-12(17)6-7-16(2)13(18)10-8-9(19-3)4-5-11(10)14/h4-5,8H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyWFQYZYYPUUSZAI-UHFFFAOYSA-N
XLogP0.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.49
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-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106913718) is 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is WFQYZYYPUUSZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-12(17)6-7-16(2)13(18)10-8-9(19-3)4-5-11(10)14/h4-5,8H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).