butyl 2-(2-phenylethylamino)acetate

C14H21NO2 — CID 60679601

IUPACbutyl 2-(2-phenylethylamino)acetate
SMILESCCCCOC(=O)CNCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-3-11-17-14(16)12-15-10-9-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3
InChIKeyAIEARSADLORHPU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds8

About butyl 2-(2-phenylethylamino)acetate

butyl 2-(2-phenylethylamino)acetate (PubChem CID 60679601) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is butyl 2-(2-phenylethylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(2-phenylethylamino)acetate
PubChem CID60679601
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebutyl 2-(2-phenylethylamino)acetate
SMILESCCCCOC(=O)CNCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-3-11-17-14(16)12-15-10-9-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3
InChIKeyAIEARSADLORHPU-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-(2-phenylethylamino)propyl propanoate
CID 82532105
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
pentyl 2-(2-phenylethylcarbamothioylamino)acetate
CID 3847977
butyl (3S)-3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 165343799
3-(propylamino)propyl 3-phenylpropanoate
CID 82532717
butyl 2-[2-(5-bromothiophen-2-yl)ethylamino]acetate
CID 106037206
butyl 2-(octylamino)acetate
CID 115567498
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
CID 121299623
butyl N-(5-phenylpentyl)carbamate
CID 69404409
4-phenylbutyl butanoate
CID 59678642
benzyl propanoate;butyl propanoate
CID 19966788
decyl 5-phenylpentanoate
CID 91723581

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-phenylethylamino)acetate?
The IUPAC name of butyl 2-(2-phenylethylamino)acetate (CID 60679601) is butyl 2-(2-phenylethylamino)acetate.
What is the SMILES notation for butyl 2-(2-phenylethylamino)acetate?
The canonical SMILES for butyl 2-(2-phenylethylamino)acetate is CCCCOC(=O)CNCCc1ccccc1.
What is the InChIKey of butyl 2-(2-phenylethylamino)acetate?
The InChIKey is AIEARSADLORHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-11-17-14(16)12-15-10-9-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3.
What are the key properties of butyl 2-(2-phenylethylamino)acetate?
butyl 2-(2-phenylethylamino)acetate 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 butyl 2-(2-phenylethylamino)acetate is sourced from PubChem (CID 60679601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).