1-(dimethylamino)propan-2-yl 4-acetamidobenzoate

C14H20N2O3 — CID 13475783

IUPAC1-(dimethylamino)propan-2-yl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)CN(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(9-16(3)4)19-14(18)12-5-7-13(8-6-12)15-11(2)17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyQLYIOURIXWBCJF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.75
Rot. Bonds5

About 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate

1-(dimethylamino)propan-2-yl 4-acetamidobenzoate (PubChem CID 13475783) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl 4-acetamidobenzoate
PubChem CID13475783
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(dimethylamino)propan-2-yl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)CN(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(9-16(3)4)19-14(18)12-5-7-13(8-6-12)15-11(2)17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyQLYIOURIXWBCJF-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

octan-2-yl 4-acetamidobenzoate
CID 102596170
4-acetamidobenzoic acid;(2S)-1-(dimethylamino)propan-2-ol
CID 76964719
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
1-(dimethylamino)propan-2-yl 4-butoxybenzoate;hydron;chloride
CID 3243519
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
CID 27011161
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 16520835
cyanomethyl 4-acetamidobenzoate
CID 2397740
1-(dimethylamino)propan-2-yl 4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzoate;hydrochloride
CID 139887211

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate?
The IUPAC name of 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate (CID 13475783) is 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OC(C)CN(C)C)cc1.
What is the InChIKey of 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate?
The InChIKey is QLYIOURIXWBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(9-16(3)4)19-14(18)12-5-7-13(8-6-12)15-11(2)17/h5-8,10H,9H2,1-4H3,(H,15,17).
What are the key properties of 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate?
1-(dimethylamino)propan-2-yl 4-acetamidobenzoate has a molecular weight of 264.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl 4-acetamidobenzoate is sourced from PubChem (CID 13475783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).