5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide

C13H21N3O2 — CID 102694296

IUPAC5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-9(18-4)8-15-13(17)11-7-10(14)5-6-12(11)16(2)3/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyCRYLEEIWSARZDZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide

5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide (PubChem CID 102694296) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
PubChem CID102694296
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-9(18-4)8-15-13(17)11-7-10(14)5-6-12(11)16(2)3/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyCRYLEEIWSARZDZ-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106242211
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
[2-(2-methylpropylamino)-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61321624
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 102694291

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide (CID 102694296) is 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide is COC(C)CNC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide?
The InChIKey is CRYLEEIWSARZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(18-4)8-15-13(17)11-7-10(14)5-6-12(11)16(2)3/h5-7,9H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide?
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 102694296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).