3-[benzoyl(dimethylamino)amino]propanamide

C12H17N3O2 — CID 3024657

IUPAC3-[benzoyl(dimethylamino)amino]propanamide
SMILESCN(C)N(CCC(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-14(2)15(9-8-11(13)16)12(17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,16)
InChIKeyMXTAZQUBOIMGRZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds5

About 3-[benzoyl(dimethylamino)amino]propanamide

3-[benzoyl(dimethylamino)amino]propanamide (PubChem CID 3024657) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[benzoyl(dimethylamino)amino]propanamide.

Molecular Properties

Compound Name3-[benzoyl(dimethylamino)amino]propanamide
PubChem CID3024657
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[benzoyl(dimethylamino)amino]propanamide
SMILESCN(C)N(CCC(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-14(2)15(9-8-11(13)16)12(17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,16)
InChIKeyMXTAZQUBOIMGRZ-UHFFFAOYSA-N
XLogP0.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[benzoyl(dimethylamino)amino]propanamide?
The IUPAC name of 3-[benzoyl(dimethylamino)amino]propanamide (CID 3024657) is 3-[benzoyl(dimethylamino)amino]propanamide.
What is the SMILES notation for 3-[benzoyl(dimethylamino)amino]propanamide?
The canonical SMILES for 3-[benzoyl(dimethylamino)amino]propanamide is CN(C)N(CCC(N)=O)C(=O)c1ccccc1.
What is the InChIKey of 3-[benzoyl(dimethylamino)amino]propanamide?
The InChIKey is MXTAZQUBOIMGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14(2)15(9-8-11(13)16)12(17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,16).
What are the key properties of 3-[benzoyl(dimethylamino)amino]propanamide?
3-[benzoyl(dimethylamino)amino]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzoyl(dimethylamino)amino]propanamide is sourced from PubChem (CID 3024657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).