propyl 4-[2-(methylamino)propanoylamino]benzoate

C14H20N2O3 — CID 60718902

IUPACpropyl 4-[2-(methylamino)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)NC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-9-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)15-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyLAAYAJDHHQUNHQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds6

About propyl 4-[2-(methylamino)propanoylamino]benzoate

propyl 4-[2-(methylamino)propanoylamino]benzoate (PubChem CID 60718902) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is propyl 4-[2-(methylamino)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-(methylamino)propanoylamino]benzoate
PubChem CID60718902
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namepropyl 4-[2-(methylamino)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)NC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-9-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)15-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyLAAYAJDHHQUNHQ-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
propyl 4-(3-methylbut-2-enoylamino)benzoate
CID 19177461
propyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316672
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
propyl 4-[2-(4-nitrophenoxy)propanoylamino]benzoate
CID 4951235

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-(methylamino)propanoylamino]benzoate?
The IUPAC name of propyl 4-[2-(methylamino)propanoylamino]benzoate (CID 60718902) is propyl 4-[2-(methylamino)propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[2-(methylamino)propanoylamino]benzoate?
The canonical SMILES for propyl 4-[2-(methylamino)propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)C(C)NC)cc1.
What is the InChIKey of propyl 4-[2-(methylamino)propanoylamino]benzoate?
The InChIKey is LAAYAJDHHQUNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-9-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)15-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of propyl 4-[2-(methylamino)propanoylamino]benzoate?
propyl 4-[2-(methylamino)propanoylamino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-(methylamino)propanoylamino]benzoate is sourced from PubChem (CID 60718902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).