ethyl 3-[benzoyl(dimethylamino)amino]propanoate

C14H20N2O3 — CID 24835171

IUPACethyl 3-[benzoyl(dimethylamino)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)10-11-16(15(2)3)14(18)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyZCKLQJHITPJXAE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.56
Rot. Bonds6

About ethyl 3-[benzoyl(dimethylamino)amino]propanoate

ethyl 3-[benzoyl(dimethylamino)amino]propanoate (PubChem CID 24835171) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-[benzoyl(dimethylamino)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzoyl(dimethylamino)amino]propanoate
PubChem CID24835171
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 3-[benzoyl(dimethylamino)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)10-11-16(15(2)3)14(18)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyZCKLQJHITPJXAE-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 3-[benzoyl(dimethylamino)amino]propanoate?
The IUPAC name of ethyl 3-[benzoyl(dimethylamino)amino]propanoate (CID 24835171) is ethyl 3-[benzoyl(dimethylamino)amino]propanoate.
What is the SMILES notation for ethyl 3-[benzoyl(dimethylamino)amino]propanoate?
The canonical SMILES for ethyl 3-[benzoyl(dimethylamino)amino]propanoate is CCOC(=O)CCN(C(=O)c1ccccc1)N(C)C.
What is the InChIKey of ethyl 3-[benzoyl(dimethylamino)amino]propanoate?
The InChIKey is ZCKLQJHITPJXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13(17)10-11-16(15(2)3)14(18)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3.
What are the key properties of ethyl 3-[benzoyl(dimethylamino)amino]propanoate?
ethyl 3-[benzoyl(dimethylamino)amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzoyl(dimethylamino)amino]propanoate is sourced from PubChem (CID 24835171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).