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

C15H23NO3 — CID 55208911

IUPACethyl 2-(3-butan-2-yloxyanilino)propanoate
SMILESCCOC(=O)C(C)Nc1cccc(OC(C)CC)c1
InChIInChI=1S/C15H23NO3/c1-5-11(3)19-14-9-7-8-13(10-14)16-12(4)15(17)18-6-2/h7-12,16H,5-6H2,1-4H3
InChIKeyZXMBAXLLLAASOY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds7

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

ethyl 2-(3-butan-2-yloxyanilino)propanoate (PubChem CID 55208911) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(3-butan-2-yloxyanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-butan-2-yloxyanilino)propanoate
PubChem CID55208911
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(3-butan-2-yloxyanilino)propanoate
SMILESCCOC(=O)C(C)Nc1cccc(OC(C)CC)c1
InChIInChI=1S/C15H23NO3/c1-5-11(3)19-14-9-7-8-13(10-14)16-12(4)15(17)18-6-2/h7-12,16H,5-6H2,1-4H3
InChIKeyZXMBAXLLLAASOY-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

methyl 3-(3-butan-2-yloxyanilino)-2-methylbutanoate
CID 79398224
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
3-butan-2-yloxy-N-nonan-2-ylaniline
CID 63477987
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-butan-2-yloxyanilino)propanoate?
The IUPAC name of ethyl 2-(3-butan-2-yloxyanilino)propanoate (CID 55208911) is ethyl 2-(3-butan-2-yloxyanilino)propanoate.
What is the SMILES notation for ethyl 2-(3-butan-2-yloxyanilino)propanoate?
The canonical SMILES for ethyl 2-(3-butan-2-yloxyanilino)propanoate is CCOC(=O)C(C)Nc1cccc(OC(C)CC)c1.
What is the InChIKey of ethyl 2-(3-butan-2-yloxyanilino)propanoate?
The InChIKey is ZXMBAXLLLAASOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11(3)19-14-9-7-8-13(10-14)16-12(4)15(17)18-6-2/h7-12,16H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(3-butan-2-yloxyanilino)propanoate?
ethyl 2-(3-butan-2-yloxyanilino)propanoate has a molecular weight of 265.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-butan-2-yloxyanilino)propanoate is sourced from PubChem (CID 55208911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).