ethyl 3-(3-butan-2-yloxyanilino)propanoate

C15H23NO3 — CID 62327020

IUPACethyl 3-(3-butan-2-yloxyanilino)propanoate
SMILESCCOC(=O)CCNc1cccc(OC(C)CC)c1
InChIInChI=1S/C15H23NO3/c1-4-12(3)19-14-8-6-7-13(11-14)16-10-9-15(17)18-5-2/h6-8,11-12,16H,4-5,9-10H2,1-3H3
InChIKeyYFSMOKLMORKWOH-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds8

About ethyl 3-(3-butan-2-yloxyanilino)propanoate

ethyl 3-(3-butan-2-yloxyanilino)propanoate (PubChem CID 62327020) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-(3-butan-2-yloxyanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-butan-2-yloxyanilino)propanoate
PubChem CID62327020
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-(3-butan-2-yloxyanilino)propanoate
SMILESCCOC(=O)CCNc1cccc(OC(C)CC)c1
InChIInChI=1S/C15H23NO3/c1-4-12(3)19-14-8-6-7-13(11-14)16-10-9-15(17)18-5-2/h6-8,11-12,16H,4-5,9-10H2,1-3H3
InChIKeyYFSMOKLMORKWOH-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
ethyl 3-anilinopropanoate
CID 10910393
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-butan-2-yloxyanilino)propanoate?
The IUPAC name of ethyl 3-(3-butan-2-yloxyanilino)propanoate (CID 62327020) is ethyl 3-(3-butan-2-yloxyanilino)propanoate.
What is the SMILES notation for ethyl 3-(3-butan-2-yloxyanilino)propanoate?
The canonical SMILES for ethyl 3-(3-butan-2-yloxyanilino)propanoate is CCOC(=O)CCNc1cccc(OC(C)CC)c1.
What is the InChIKey of ethyl 3-(3-butan-2-yloxyanilino)propanoate?
The InChIKey is YFSMOKLMORKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12(3)19-14-8-6-7-13(11-14)16-10-9-15(17)18-5-2/h6-8,11-12,16H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl 3-(3-butan-2-yloxyanilino)propanoate?
ethyl 3-(3-butan-2-yloxyanilino)propanoate has a molecular weight of 265.35 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-butan-2-yloxyanilino)propanoate is sourced from PubChem (CID 62327020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).