2-(butylamino)ethyl 3-ethoxybenzoate

C15H23NO3 — CID 82532358

IUPAC2-(butylamino)ethyl 3-ethoxybenzoate
SMILESCCCCNCCOC(=O)c1cccc(OCC)c1
InChIInChI=1S/C15H23NO3/c1-3-5-9-16-10-11-19-15(17)13-7-6-8-14(12-13)18-4-2/h6-8,12,16H,3-5,9-11H2,1-2H3
InChIKeyYRBITLGMWCQWQC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds9

About 2-(butylamino)ethyl 3-ethoxybenzoate

2-(butylamino)ethyl 3-ethoxybenzoate (PubChem CID 82532358) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(butylamino)ethyl 3-ethoxybenzoate.

Molecular Properties

Compound Name2-(butylamino)ethyl 3-ethoxybenzoate
PubChem CID82532358
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(butylamino)ethyl 3-ethoxybenzoate
SMILESCCCCNCCOC(=O)c1cccc(OCC)c1
InChIInChI=1S/C15H23NO3/c1-3-5-9-16-10-11-19-15(17)13-7-6-8-14(12-13)18-4-2/h6-8,12,16H,3-5,9-11H2,1-2H3
InChIKeyYRBITLGMWCQWQC-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(butylamino)butoxy]benzoic acid
CID 71156686
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
methyl 3-ethoxybenzoate
CID 3267781
2-(butylamino)ethyl 3,4-difluorobenzoate
CID 82532364
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(4-oxobutoxy)benzoate
CID 25169734
3-(butylamino)propyl 3,4-dimethylbenzoate
CID 82532335
3-[2-(propylamino)ethoxy]benzoic acid
CID 103235092

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethyl 3-ethoxybenzoate?
The IUPAC name of 2-(butylamino)ethyl 3-ethoxybenzoate (CID 82532358) is 2-(butylamino)ethyl 3-ethoxybenzoate.
What is the SMILES notation for 2-(butylamino)ethyl 3-ethoxybenzoate?
The canonical SMILES for 2-(butylamino)ethyl 3-ethoxybenzoate is CCCCNCCOC(=O)c1cccc(OCC)c1.
What is the InChIKey of 2-(butylamino)ethyl 3-ethoxybenzoate?
The InChIKey is YRBITLGMWCQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-9-16-10-11-19-15(17)13-7-6-8-14(12-13)18-4-2/h6-8,12,16H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(butylamino)ethyl 3-ethoxybenzoate?
2-(butylamino)ethyl 3-ethoxybenzoate has a molecular weight of 265.35 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethyl 3-ethoxybenzoate is sourced from PubChem (CID 82532358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).