3-[butanoyl(dimethylamino)amino]propanamide

C9H19N3O2 — CID 3024686

IUPAC3-[butanoyl(dimethylamino)amino]propanamide
SMILESCCCC(=O)N(CCC(N)=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-4-5-9(14)12(11(2)3)7-6-8(10)13/h4-7H2,1-3H3,(H2,10,13)
InChIKeyHZTVLSADBCYQNI-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds6

About 3-[butanoyl(dimethylamino)amino]propanamide

3-[butanoyl(dimethylamino)amino]propanamide (PubChem CID 3024686) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[butanoyl(dimethylamino)amino]propanamide.

Molecular Properties

Compound Name3-[butanoyl(dimethylamino)amino]propanamide
PubChem CID3024686
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[butanoyl(dimethylamino)amino]propanamide
SMILESCCCC(=O)N(CCC(N)=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-4-5-9(14)12(11(2)3)7-6-8(10)13/h4-7H2,1-3H3,(H2,10,13)
InChIKeyHZTVLSADBCYQNI-UHFFFAOYSA-N
XLogP-0.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
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-[butanoyl(dimethylamino)amino]propanamide?
The IUPAC name of 3-[butanoyl(dimethylamino)amino]propanamide (CID 3024686) is 3-[butanoyl(dimethylamino)amino]propanamide.
What is the SMILES notation for 3-[butanoyl(dimethylamino)amino]propanamide?
The canonical SMILES for 3-[butanoyl(dimethylamino)amino]propanamide is CCCC(=O)N(CCC(N)=O)N(C)C.
What is the InChIKey of 3-[butanoyl(dimethylamino)amino]propanamide?
The InChIKey is HZTVLSADBCYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-5-9(14)12(11(2)3)7-6-8(10)13/h4-7H2,1-3H3,(H2,10,13).
What are the key properties of 3-[butanoyl(dimethylamino)amino]propanamide?
3-[butanoyl(dimethylamino)amino]propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butanoyl(dimethylamino)amino]propanamide is sourced from PubChem (CID 3024686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).