4-acetamidobenzoic acid;2-(dimethylamino)ethanol

C13H20N2O4 — CID 19265

IUPAC4-acetamidobenzoic acid;2-(dimethylamino)ethanol
SMILESCC(=O)Nc1ccc(C(=O)O)cc1.CN(C)CCO
InChIInChI=1S/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3
InChIKeyXTWZHJXJIIUEJP-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.88
Rot. Bonds4

About 4-acetamidobenzoic acid;2-(dimethylamino)ethanol

4-acetamidobenzoic acid;2-(dimethylamino)ethanol (PubChem CID 19265) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-acetamidobenzoic acid;2-(dimethylamino)ethanol.

Molecular Properties

Compound Name4-acetamidobenzoic acid;2-(dimethylamino)ethanol
PubChem CID19265
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-acetamidobenzoic acid;2-(dimethylamino)ethanol
SMILESCC(=O)Nc1ccc(C(=O)O)cc1.CN(C)CCO
InChIInChI=1S/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3
InChIKeyXTWZHJXJIIUEJP-UHFFFAOYSA-N
XLogP0.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamidobenzoic acid;2-(dimethylamino)ethanol?
The IUPAC name of 4-acetamidobenzoic acid;2-(dimethylamino)ethanol (CID 19265) is 4-acetamidobenzoic acid;2-(dimethylamino)ethanol.
What is the SMILES notation for 4-acetamidobenzoic acid;2-(dimethylamino)ethanol?
The canonical SMILES for 4-acetamidobenzoic acid;2-(dimethylamino)ethanol is CC(=O)Nc1ccc(C(=O)O)cc1.CN(C)CCO.
What is the InChIKey of 4-acetamidobenzoic acid;2-(dimethylamino)ethanol?
The InChIKey is XTWZHJXJIIUEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3.
What are the key properties of 4-acetamidobenzoic acid;2-(dimethylamino)ethanol?
4-acetamidobenzoic acid;2-(dimethylamino)ethanol has a molecular weight of 268.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobenzoic acid;2-(dimethylamino)ethanol is sourced from PubChem (CID 19265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).