(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate

C19H19NO3 — CID 11197625

IUPAC(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate
SMILESCC(=O)Oc1c(C(C)C)ccc2oc(N)c(-c3ccccc3)c12
InChIInChI=1S/C19H19NO3/c1-11(2)14-9-10-15-17(18(14)22-12(3)21)16(19(20)23-15)13-7-5-4-6-8-13/h4-11H,20H2,1-3H3
InChIKeyYGHVDFLHJJPTSQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.73
Rot. Bonds3

About (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate

(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate (PubChem CID 11197625) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate.

Molecular Properties

Compound Name(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate
PubChem CID11197625
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate
SMILESCC(=O)Oc1c(C(C)C)ccc2oc(N)c(-c3ccccc3)c12
InChIInChI=1S/C19H19NO3/c1-11(2)14-9-10-15-17(18(14)22-12(3)21)16(19(20)23-15)13-7-5-4-6-8-13/h4-11H,20H2,1-3H3
InChIKeyYGHVDFLHJJPTSQ-UHFFFAOYSA-N
XLogP4.73
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
(2-tert-butyl-4,5-diphenylfuran-3-yl) acetate
CID 11336580
(4-methyl-2-oxo-3-phenylchromen-6-yl) acetate
CID 7198791
(6-bromo-4-oxo-2-phenylchromen-3-yl) acetate
CID 23792598
(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate
CID 5245721
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate
CID 134906807
2-phenyl-3,4-di(propan-2-yl)benzoic acid
CID 70035645
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
(2-phenyl-3-propan-2-ylphenyl) propanoate
CID 90033984
bis(4-phenyl-3,5-di(propan-2-yl)aniline);hydrate
CID 174678037

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate?
The IUPAC name of (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate (CID 11197625) is (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate.
What is the SMILES notation for (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate?
The canonical SMILES for (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate is CC(=O)Oc1c(C(C)C)ccc2oc(N)c(-c3ccccc3)c12.
What is the InChIKey of (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate?
The InChIKey is YGHVDFLHJJPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11(2)14-9-10-15-17(18(14)22-12(3)21)16(19(20)23-15)13-7-5-4-6-8-13/h4-11H,20H2,1-3H3.
What are the key properties of (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate?
(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate has a molecular weight of 309.37 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate is sourced from PubChem (CID 11197625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).