propyl 4-(2-methylpropoxycarbonylamino)benzoate

C15H21NO4 — CID 43404774

IUPACpropyl 4-(2-methylpropoxycarbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-9-19-14(17)12-5-7-13(8-6-12)16-15(18)20-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyFUZRSJJAVKHQHA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.46
Rot. Bonds6

About propyl 4-(2-methylpropoxycarbonylamino)benzoate

propyl 4-(2-methylpropoxycarbonylamino)benzoate (PubChem CID 43404774) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is propyl 4-(2-methylpropoxycarbonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(2-methylpropoxycarbonylamino)benzoate
PubChem CID43404774
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namepropyl 4-(2-methylpropoxycarbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-4-9-19-14(17)12-5-7-13(8-6-12)16-15(18)20-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyFUZRSJJAVKHQHA-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
propyl 4-(2-methylpropylsulfonylamino)benzoate
CID 62999829
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
2-methylpropyl 4-(octanoylamino)benzoate
CID 3528525
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
4-O-(2-methylpropyl) 1-O-tetradecyl benzene-1,4-dicarboxylate
CID 91735835

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-methylpropoxycarbonylamino)benzoate?
The IUPAC name of propyl 4-(2-methylpropoxycarbonylamino)benzoate (CID 43404774) is propyl 4-(2-methylpropoxycarbonylamino)benzoate.
What is the SMILES notation for propyl 4-(2-methylpropoxycarbonylamino)benzoate?
The canonical SMILES for propyl 4-(2-methylpropoxycarbonylamino)benzoate is CCCOC(=O)c1ccc(NC(=O)OCC(C)C)cc1.
What is the InChIKey of propyl 4-(2-methylpropoxycarbonylamino)benzoate?
The InChIKey is FUZRSJJAVKHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-9-19-14(17)12-5-7-13(8-6-12)16-15(18)20-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of propyl 4-(2-methylpropoxycarbonylamino)benzoate?
propyl 4-(2-methylpropoxycarbonylamino)benzoate has a molecular weight of 279.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-methylpropoxycarbonylamino)benzoate is sourced from PubChem (CID 43404774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).