3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide

C14H23N3O3 — CID 115934555

IUPAC3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
SMILESCOCCCN(CCOC)c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H23N3O3/c1-19-9-4-7-17(8-10-20-2)13-11(14(16)18)5-3-6-12(13)15/h3,5-6H,4,7-10,15H2,1-2H3,(H2,16,18)
InChIKeyQFQOSTGFPPOZIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.86
Rot. Bonds9

About 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide

3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide (PubChem CID 115934555) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
PubChem CID115934555
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
SMILESCOCCCN(CCOC)c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H23N3O3/c1-19-9-4-7-17(8-10-20-2)13-11(14(16)18)5-3-6-12(13)15/h3,5-6H,4,7-10,15H2,1-2H3,(H2,16,18)
InChIKeyQFQOSTGFPPOZIW-UHFFFAOYSA-N
XLogP0.86
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
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-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
CID 107109251
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
CID 54969050
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
3-methoxypropyl 2-aminobenzoate
CID 61278385

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide?
The IUPAC name of 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide (CID 115934555) is 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide is COCCCN(CCOC)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide?
The InChIKey is QFQOSTGFPPOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-19-9-4-7-17(8-10-20-2)13-11(14(16)18)5-3-6-12(13)15/h3,5-6H,4,7-10,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide?
3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide is sourced from PubChem (CID 115934555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).