propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate

C23H29NO3 — CID 54782126

IUPACpropyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-5-14-27-23(26)20-10-12-21(13-11-20)24-22(25)17(4)19-8-6-18(7-9-19)15-16(2)3/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,25)
InChIKeyZUCSTMFAZLJSKO-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.19
Rot. Bonds8

About propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate

propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate (PubChem CID 54782126) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
PubChem CID54782126
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Namepropyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-5-14-27-23(26)20-10-12-21(13-11-20)24-22(25)17(4)19-8-6-18(7-9-19)15-16(2)3/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,25)
InChIKeyZUCSTMFAZLJSKO-UHFFFAOYSA-N
XLogP5.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782303
propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
The IUPAC name of propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate (CID 54782126) is propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
The canonical SMILES for propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
The InChIKey is ZUCSTMFAZLJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-5-14-27-23(26)20-10-12-21(13-11-20)24-22(25)17(4)19-8-6-18(7-9-19)15-16(2)3/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,25).
What are the key properties of propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate has a molecular weight of 367.49 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate is sourced from PubChem (CID 54782126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).