butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate

C14H19NO3 — CID 114262495

IUPACbutyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate
SMILESCCCCOC(=O)CNc1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO3/c1-2-3-6-18-14(16)8-15-13-5-4-11-9-17-10-12(11)7-13/h4-5,7,15H,2-3,6,8-10H2,1H3
InChIKeyRIPTYAVBWDNPMZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.47
Rot. Bonds6

About butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate

butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate (PubChem CID 114262495) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate
PubChem CID114262495
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebutyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate
SMILESCCCCOC(=O)CNc1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO3/c1-2-3-6-18-14(16)8-15-13-5-4-11-9-17-10-12(11)7-13/h4-5,7,15H,2-3,6,8-10H2,1H3
InChIKeyRIPTYAVBWDNPMZ-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.47
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

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CID 54917881
butyl 2-(3-chloro-4-fluoroanilino)acetate
CID 83109062
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302
butyl 2-(3-acetamidoanilino)acetate
CID 54917754
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
butyl 2-(4-methylsulfanylanilino)acetate
CID 54917733
pentyl 2-(4-methylanilino)acetate
CID 61303910
butyl 2-(3-cyano-4-fluoroanilino)acetate
CID 62316814
heptyl 2-anilinoacetate
CID 61302862
octyl 2-(3-chloroanilino)acetate
CID 63541877
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
1-amino-2-butyl-3-(1,3-dihydro-2-benzofuran-5-yl)guanidine
CID 114262951

Frequently Asked Questions

What is the IUPAC name of butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate?
The IUPAC name of butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate (CID 114262495) is butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate.
What is the SMILES notation for butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate?
The canonical SMILES for butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate is CCCCOC(=O)CNc1ccc2c(c1)COC2.
What is the InChIKey of butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate?
The InChIKey is RIPTYAVBWDNPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-6-18-14(16)8-15-13-5-4-11-9-17-10-12(11)7-13/h4-5,7,15H,2-3,6,8-10H2,1H3.
What are the key properties of butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate?
butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate has a molecular weight of 249.31 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(1,3-dihydro-2-benzofuran-5-ylamino)acetate is sourced from PubChem (CID 114262495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).