(2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H17NO5 — CID 162673243

IUPAC(2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-21-13-8-10(9-14(22-2)17(13)23-3)16(20)15-11-6-4-5-7-12(11)24-18(15)19/h4-9H,19H2,1-3H3
InChIKeyZXGNGCZCWHZSKT-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.27
Rot. Bonds5

About (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162673243) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162673243
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-21-13-8-10(9-14(22-2)17(13)23-3)16(20)15-11-6-4-5-7-12(11)24-18(15)19/h4-9H,19H2,1-3H3
InChIKeyZXGNGCZCWHZSKT-UHFFFAOYSA-N
XLogP3.27
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162673243) is (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(N)oc3ccccc23)cc(OC)c1OC.
What is the InChIKey of (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZXGNGCZCWHZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-21-13-8-10(9-14(22-2)17(13)23-3)16(20)15-11-6-4-5-7-12(11)24-18(15)19/h4-9H,19H2,1-3H3.
What are the key properties of (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 327.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162673243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).