azane;benzyl 3-phenylpropanoate

C16H19NO2 — CID 175136325

IUPACazane;benzyl 3-phenylpropanoate
SMILESN.O=C(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16O2.H3N/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;/h1-10H,11-13H2;1H3
InChIKeyJBJVEXJEKJDXEL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.52
Rot. Bonds5

About azane;benzyl 3-phenylpropanoate

azane;benzyl 3-phenylpropanoate (PubChem CID 175136325) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is azane;benzyl 3-phenylpropanoate.

Molecular Properties

Compound Nameazane;benzyl 3-phenylpropanoate
PubChem CID175136325
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameazane;benzyl 3-phenylpropanoate
SMILESN.O=C(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16O2.H3N/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;/h1-10H,11-13H2;1H3
InChIKeyJBJVEXJEKJDXEL-UHFFFAOYSA-N
XLogP3.52
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-phenylbutanoate
CID 11961623
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
dibenzyl 4-oxoheptanedioate
CID 14639376
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
4-O-amino 1-O-benzyl butanedioate
CID 54013080
benzyl 3-(3-tert-butylphenyl)propanoate
CID 57323126
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
CID 173397882
CID 173397882
4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
2-chloroethyl 3-phenylpropanoate
CID 13096483
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
2-bromoethyl 3-phenylpropanoate
CID 101450584

Frequently Asked Questions

What is the IUPAC name of azane;benzyl 3-phenylpropanoate?
The IUPAC name of azane;benzyl 3-phenylpropanoate (CID 175136325) is azane;benzyl 3-phenylpropanoate.
What is the SMILES notation for azane;benzyl 3-phenylpropanoate?
The canonical SMILES for azane;benzyl 3-phenylpropanoate is N.O=C(CCc1ccccc1)OCc1ccccc1.
What is the InChIKey of azane;benzyl 3-phenylpropanoate?
The InChIKey is JBJVEXJEKJDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2.H3N/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;/h1-10H,11-13H2;1H3.
What are the key properties of azane;benzyl 3-phenylpropanoate?
azane;benzyl 3-phenylpropanoate has a molecular weight of 257.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzyl 3-phenylpropanoate is sourced from PubChem (CID 175136325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).