[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate

C19H23NO2 — CID 91017548

IUPAC[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate
SMILESCC(C)(N)Cc1cccc(OC(=O)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-19(2,20)14-16-9-6-10-17(13-16)22-18(21)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12,14,20H2,1-2H3
InChIKeyFTMUMDVAXYSRCY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.50
Rot. Bonds6

About [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate

[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate (PubChem CID 91017548) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate
PubChem CID91017548
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate
SMILESCC(C)(N)Cc1cccc(OC(=O)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-19(2,20)14-16-9-6-10-17(13-16)22-18(21)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12,14,20H2,1-2H3
InChIKeyFTMUMDVAXYSRCY-UHFFFAOYSA-N
XLogP3.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

CID 70464798
CID 70464798
phenyl 3-(3-butoxycarbonyloxyphenyl)propanoate
CID 174801424
2,2-diphenylpropanoic acid;phenyl 3-phenylpropanoate
CID 175021775
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
CID 51154456
phenyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139663069
(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
[3-(hydroxymethyl)phenyl] pentanoate
CID 156905609
(3-pentylphenyl) octanoate;hydrobromide
CID 174977807
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
[4-(2-amino-3,3-dimethylbutanoyl)-2-(3-phenylpropanoyloxy)phenyl] 3-phenylpropanoate
CID 70553751

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate?
The IUPAC name of [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate (CID 91017548) is [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate.
What is the SMILES notation for [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate?
The canonical SMILES for [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate is CC(C)(N)Cc1cccc(OC(=O)CCc2ccccc2)c1.
What is the InChIKey of [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate?
The InChIKey is FTMUMDVAXYSRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,20)14-16-9-6-10-17(13-16)22-18(21)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12,14,20H2,1-2H3.
What are the key properties of [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate?
[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate has a molecular weight of 297.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate is sourced from PubChem (CID 91017548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).