3-(2-phenylethylamino)propyl propanoate

C14H21NO2 — CID 82532105

IUPAC3-(2-phenylethylamino)propyl propanoate
SMILESCCC(=O)OCCCNCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-14(16)17-12-6-10-15-11-9-13-7-4-3-5-8-13/h3-5,7-8,15H,2,6,9-12H2,1H3
InChIKeyRLDYBYGHIASCSQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds8

About 3-(2-phenylethylamino)propyl propanoate

3-(2-phenylethylamino)propyl propanoate (PubChem CID 82532105) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-phenylethylamino)propyl propanoate.

Molecular Properties

Compound Name3-(2-phenylethylamino)propyl propanoate
PubChem CID82532105
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2-phenylethylamino)propyl propanoate
SMILESCCC(=O)OCCCNCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-14(16)17-12-6-10-15-11-9-13-7-4-3-5-8-13/h3-5,7-8,15H,2,6,9-12H2,1H3
InChIKeyRLDYBYGHIASCSQ-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)propyl 3-phenylpropanoate
CID 82532717
butyl 2-(2-phenylethylamino)acetate
CID 60679601
3-(18-phenyloctadecylamino)propyl 2-(dimethylamino)acetate
CID 175484181
4-(2-phenylethylamino)butyl benzoate
CID 70832782
2-(benzylamino)ethyl propanoate
CID 10988499
3-(butylamino)propyl propanoate
CID 82532356
benzyl propanoate;butyl propanoate
CID 19966788
3-(3-methylbutylamino)propyl 2-phenylacetate
CID 82531995
benzyl 4-propanoyloxybutanoate
CID 163613543
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
2-(2-phenylethylsilyloxy)ethyl propanoate
CID 154195963

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylamino)propyl propanoate?
The IUPAC name of 3-(2-phenylethylamino)propyl propanoate (CID 82532105) is 3-(2-phenylethylamino)propyl propanoate.
What is the SMILES notation for 3-(2-phenylethylamino)propyl propanoate?
The canonical SMILES for 3-(2-phenylethylamino)propyl propanoate is CCC(=O)OCCCNCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)propyl propanoate?
The InChIKey is RLDYBYGHIASCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-14(16)17-12-6-10-15-11-9-13-7-4-3-5-8-13/h3-5,7-8,15H,2,6,9-12H2,1H3.
What are the key properties of 3-(2-phenylethylamino)propyl propanoate?
3-(2-phenylethylamino)propyl propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)propyl propanoate is sourced from PubChem (CID 82532105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).