propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate

C15H21NO4 — CID 115593329

IUPACpropyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-9-19-15(18)12-5-7-13(8-6-12)16-14(17)10-20-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyFUJXRBXYMQGJLY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.62
Rot. Bonds7

About propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate

propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate (PubChem CID 115593329) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
PubChem CID115593329
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namepropyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-9-19-15(18)12-5-7-13(8-6-12)16-14(17)10-20-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyFUJXRBXYMQGJLY-UHFFFAOYSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986523
propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
CID 54814917
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
propyl 4-(5-chloropentanoylamino)benzoate
CID 43167866
propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
CID 103021711

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate (CID 115593329) is propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)COC(C)C)cc1.
What is the InChIKey of propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate?
The InChIKey is FUJXRBXYMQGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-9-19-15(18)12-5-7-13(8-6-12)16-14(17)10-20-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate?
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate has a molecular weight of 279.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 115593329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).