butyl 2-(4-propan-2-yloxyanilino)acetate

C15H23NO3 — CID 60822958

IUPACbutyl 2-(4-propan-2-yloxyanilino)acetate
SMILESCCCCOC(=O)CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-5-10-18-15(17)11-16-13-6-8-14(9-7-13)19-12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyJZZMAJHAKVGZNT-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds8

About butyl 2-(4-propan-2-yloxyanilino)acetate

butyl 2-(4-propan-2-yloxyanilino)acetate (PubChem CID 60822958) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is butyl 2-(4-propan-2-yloxyanilino)acetate.

Molecular Properties

Compound Namebutyl 2-(4-propan-2-yloxyanilino)acetate
PubChem CID60822958
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namebutyl 2-(4-propan-2-yloxyanilino)acetate
SMILESCCCCOC(=O)CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-5-10-18-15(17)11-16-13-6-8-14(9-7-13)19-12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyJZZMAJHAKVGZNT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(4-methylsulfanylanilino)acetate
CID 54917733
pentyl 2-(4-methylanilino)acetate
CID 61303910
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54820264
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
heptyl 2-anilinoacetate
CID 61302862
butyl 2-(3,4-difluoroanilino)acetate
CID 54917881
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
butyl 2-(3-chloro-4-fluoroanilino)acetate
CID 83109062
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302

Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-propan-2-yloxyanilino)acetate?
The IUPAC name of butyl 2-(4-propan-2-yloxyanilino)acetate (CID 60822958) is butyl 2-(4-propan-2-yloxyanilino)acetate.
What is the SMILES notation for butyl 2-(4-propan-2-yloxyanilino)acetate?
The canonical SMILES for butyl 2-(4-propan-2-yloxyanilino)acetate is CCCCOC(=O)CNc1ccc(OC(C)C)cc1.
What is the InChIKey of butyl 2-(4-propan-2-yloxyanilino)acetate?
The InChIKey is JZZMAJHAKVGZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-10-18-15(17)11-16-13-6-8-14(9-7-13)19-12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of butyl 2-(4-propan-2-yloxyanilino)acetate?
butyl 2-(4-propan-2-yloxyanilino)acetate 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 butyl 2-(4-propan-2-yloxyanilino)acetate is sourced from PubChem (CID 60822958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).