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

C13H19N3O3 — CID 106913762

IUPAC3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cccc(N)c1OC
InChIInChI=1S/C13H19N3O3/c1-15-11(17)7-8-16(2)13(18)9-5-4-6-10(14)12(9)19-3/h4-6H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyGBLPPSIWOSVMLD-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.49
Rot. Bonds5

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

3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913762) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913762
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cccc(N)c1OC
InChIInChI=1S/C13H19N3O3/c1-15-11(17)7-8-16(2)13(18)9-5-4-6-10(14)12(9)19-3/h4-6H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyGBLPPSIWOSVMLD-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-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
methyl 3-[(3-amino-2-methylbenzoyl)-methylamino]propanoate
CID 54997083
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
methyl 2-amino-6-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzoate
CID 106914531
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696
3-amino-N-butyl-2-ethoxy-N-methylbenzamide
CID 113386345
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764
3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 107077444
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106913762) is 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1cccc(N)c1OC.
What is the InChIKey of 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is GBLPPSIWOSVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-11(17)7-8-16(2)13(18)9-5-4-6-10(14)12(9)19-3/h4-6H,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
3-amino-2-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 3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).