propyl 3-(dipropylcarbamoyl)benzoate

C17H25NO3 — CID 90989239

IUPACpropyl 3-(dipropylcarbamoyl)benzoate
SMILESCCCOC(=O)c1cccc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C17H25NO3/c1-4-10-18(11-5-2)16(19)14-8-7-9-15(13-14)17(20)21-12-6-3/h7-9,13H,4-6,10-12H2,1-3H3
InChIKeyRIPPXZPUMLRFHT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.52
Rot. Bonds8

About propyl 3-(dipropylcarbamoyl)benzoate

propyl 3-(dipropylcarbamoyl)benzoate (PubChem CID 90989239) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is propyl 3-(dipropylcarbamoyl)benzoate.

Molecular Properties

Compound Namepropyl 3-(dipropylcarbamoyl)benzoate
PubChem CID90989239
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namepropyl 3-(dipropylcarbamoyl)benzoate
SMILESCCCOC(=O)c1cccc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C17H25NO3/c1-4-10-18(11-5-2)16(19)14-8-7-9-15(13-14)17(20)21-12-6-3/h7-9,13H,4-6,10-12H2,1-3H3
InChIKeyRIPPXZPUMLRFHT-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-acetylbenzoate
CID 153251461
3-O-(2-methylprop-2-enyl) 1-O-propyl benzene-1,3-dicarboxylate
CID 91730802
3-O-octyl 1-O-propyl benzene-1,3-dicarboxylate
CID 91734111
3-O-propanoyl 1-O-propyl benzene-1,3-dicarboxylate
CID 175115088
3-methoxy-N,N-dipropylbenzamide
CID 669439
3-chloro-N,N-dipropylbenzamide
CID 669182
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
decyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91741198
undecyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91741784
ditetradecyl benzene-1,3-dicarboxylate
CID 102084318
propyl 3-cyanobenzoate
CID 43389575
propyl 3-(3-hydroxypropyl)benzoate
CID 10443536

Frequently Asked Questions

What is the IUPAC name of propyl 3-(dipropylcarbamoyl)benzoate?
The IUPAC name of propyl 3-(dipropylcarbamoyl)benzoate (CID 90989239) is propyl 3-(dipropylcarbamoyl)benzoate.
What is the SMILES notation for propyl 3-(dipropylcarbamoyl)benzoate?
The canonical SMILES for propyl 3-(dipropylcarbamoyl)benzoate is CCCOC(=O)c1cccc(C(=O)N(CCC)CCC)c1.
What is the InChIKey of propyl 3-(dipropylcarbamoyl)benzoate?
The InChIKey is RIPPXZPUMLRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-10-18(11-5-2)16(19)14-8-7-9-15(13-14)17(20)21-12-6-3/h7-9,13H,4-6,10-12H2,1-3H3.
What are the key properties of propyl 3-(dipropylcarbamoyl)benzoate?
propyl 3-(dipropylcarbamoyl)benzoate has a molecular weight of 291.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(dipropylcarbamoyl)benzoate is sourced from PubChem (CID 90989239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).