benzyl 3-(benzylamino)-3-phenylpropanoate

C23H23NO2 — CID 11782918

IUPACbenzyl 3-(benzylamino)-3-phenylpropanoate
SMILESO=C(CC(NCc1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26-18-20-12-6-2-7-13-20)16-22(21-14-8-3-9-15-21)24-17-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2
InChIKeyDBFJZLDMCZEVIY-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.65
Rot. Bonds8

About benzyl 3-(benzylamino)-3-phenylpropanoate

benzyl 3-(benzylamino)-3-phenylpropanoate (PubChem CID 11782918) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl 3-(benzylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl 3-(benzylamino)-3-phenylpropanoate
PubChem CID11782918
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namebenzyl 3-(benzylamino)-3-phenylpropanoate
SMILESO=C(CC(NCc1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26-18-20-12-6-2-7-13-20)16-22(21-14-8-3-9-15-21)24-17-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2
InChIKeyDBFJZLDMCZEVIY-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2836941
Benzyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 563608
2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
CID 375616
(+/-)-threo-Benzylphenidate
CID 52948225
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991
Benzyl 3-(6-methoxy-6-oxohexyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 5459622
benzyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate;hydrochloride
CID 14182310
3-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
CID 304273
Allyl 3-(benzoylamino)-3-phenylpropanoate
CID 3672271
Benzyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855413
(4-fluorophenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 71552197

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(benzylamino)-3-phenylpropanoate?
The IUPAC name of benzyl 3-(benzylamino)-3-phenylpropanoate (CID 11782918) is benzyl 3-(benzylamino)-3-phenylpropanoate.
What is the SMILES notation for benzyl 3-(benzylamino)-3-phenylpropanoate?
The canonical SMILES for benzyl 3-(benzylamino)-3-phenylpropanoate is O=C(CC(NCc1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 3-(benzylamino)-3-phenylpropanoate?
The InChIKey is DBFJZLDMCZEVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26-18-20-12-6-2-7-13-20)16-22(21-14-8-3-9-15-21)24-17-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2.
What are the key properties of benzyl 3-(benzylamino)-3-phenylpropanoate?
benzyl 3-(benzylamino)-3-phenylpropanoate has a molecular weight of 345.44 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(benzylamino)-3-phenylpropanoate is sourced from PubChem (CID 11782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).