2-propoxyethyl 3-(4-aminophenyl)propanoate

C14H21NO3 — CID 63687090

IUPAC2-propoxyethyl 3-(4-aminophenyl)propanoate
SMILESCCCOCCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H21NO3/c1-2-9-17-10-11-18-14(16)8-5-12-3-6-13(15)7-4-12/h3-4,6-7H,2,5,8-11,15H2,1H3
InChIKeyQVTQVDLAORBEFS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.17
Rot. Bonds8

About 2-propoxyethyl 3-(4-aminophenyl)propanoate

2-propoxyethyl 3-(4-aminophenyl)propanoate (PubChem CID 63687090) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-propoxyethyl 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Name2-propoxyethyl 3-(4-aminophenyl)propanoate
PubChem CID63687090
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-propoxyethyl 3-(4-aminophenyl)propanoate
SMILESCCCOCCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H21NO3/c1-2-9-17-10-11-18-14(16)8-5-12-3-6-13(15)7-4-12/h3-4,6-7H,2,5,8-11,15H2,1H3
InChIKeyQVTQVDLAORBEFS-UHFFFAOYSA-N
XLogP2.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
CID 103403075
butyl 4-(4-aminophenyl)butanoate
CID 89374601
3-ethylsulfonylpropyl 3-(4-aminophenyl)propanoate
CID 65095377
2-ethoxyethyl 3-(4-ethylphenyl)propanoate
CID 78832078
[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
CID 61316212
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
1-(4-aminophenyl)hexan-3-one
CID 116605405
propyl 3-(3,5-dimethylphenyl)propanoate
CID 173270360
butyl 3-(4-chlorophenyl)propanoate
CID 24808099

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 3-(4-aminophenyl)propanoate?
The IUPAC name of 2-propoxyethyl 3-(4-aminophenyl)propanoate (CID 63687090) is 2-propoxyethyl 3-(4-aminophenyl)propanoate.
What is the SMILES notation for 2-propoxyethyl 3-(4-aminophenyl)propanoate?
The canonical SMILES for 2-propoxyethyl 3-(4-aminophenyl)propanoate is CCCOCCOC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 2-propoxyethyl 3-(4-aminophenyl)propanoate?
The InChIKey is QVTQVDLAORBEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-9-17-10-11-18-14(16)8-5-12-3-6-13(15)7-4-12/h3-4,6-7H,2,5,8-11,15H2,1H3.
What are the key properties of 2-propoxyethyl 3-(4-aminophenyl)propanoate?
2-propoxyethyl 3-(4-aminophenyl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 63687090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).