4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide

C13H19N3O3 — CID 120826819

IUPAC4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
SMILESCNC(C)CNC(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-9(15-2)7-16-12(17)8-19-11-5-3-10(4-6-11)13(14)18/h3-6,9,15H,7-8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyVZXQKXCGBXYBPQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.11
Rot. Bonds7

About 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide

4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide (PubChem CID 120826819) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
PubChem CID120826819
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
SMILESCNC(C)CNC(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-9(15-2)7-16-12(17)8-19-11-5-3-10(4-6-11)13(14)18/h3-6,9,15H,7-8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyVZXQKXCGBXYBPQ-UHFFFAOYSA-N
XLogP-0.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]benzamide
CID 95234085

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide (CID 120826819) is 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide is CNC(C)CNC(=O)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide?
The InChIKey is VZXQKXCGBXYBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(15-2)7-16-12(17)8-19-11-5-3-10(4-6-11)13(14)18/h3-6,9,15H,7-8H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide?
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide has a molecular weight of 265.31 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 120826819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).