propan-2-yl 4-(dipropylamino)benzoate

C16H25NO2 — CID 139770172

IUPACpropan-2-yl 4-(dipropylamino)benzoate
SMILESCCCN(CCC)c1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-11-17(12-6-2)15-9-7-14(8-10-15)16(18)19-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyVDEYNXVVQOFUNZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.88
Rot. Bonds7

About propan-2-yl 4-(dipropylamino)benzoate

propan-2-yl 4-(dipropylamino)benzoate (PubChem CID 139770172) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is propan-2-yl 4-(dipropylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(dipropylamino)benzoate
PubChem CID139770172
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namepropan-2-yl 4-(dipropylamino)benzoate
SMILESCCCN(CCC)c1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-11-17(12-6-2)15-9-7-14(8-10-15)16(18)19-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyVDEYNXVVQOFUNZ-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-ethylbenzoate
CID 583760
[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514955
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
[4-[4-(dipropylamino)phenoxy]carbonylphenyl] 4-acetyloxybenzoate
CID 122542341
propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
CID 90448513
3-(4-ethoxycarbonyl-N-propylanilino)-2-methylpropanoic acid
CID 82317833
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(dipropylamino)benzoate?
The IUPAC name of propan-2-yl 4-(dipropylamino)benzoate (CID 139770172) is propan-2-yl 4-(dipropylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(dipropylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(dipropylamino)benzoate is CCCN(CCC)c1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-(dipropylamino)benzoate?
The InChIKey is VDEYNXVVQOFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-11-17(12-6-2)15-9-7-14(8-10-15)16(18)19-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of propan-2-yl 4-(dipropylamino)benzoate?
propan-2-yl 4-(dipropylamino)benzoate has a molecular weight of 263.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(dipropylamino)benzoate is sourced from PubChem (CID 139770172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).