(3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

C18H21NO5 — CID 11348104

IUPAC(3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C18H21NO5/c1-5-24-14-7-6-11(8-13(14)19)17(20)12-9-15(21-2)18(23-4)16(10-12)22-3/h6-10H,5,19H2,1-4H3
InChIKeyZESHEIFJMOQTGE-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.92
Rot. Bonds7

About (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

(3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11348104) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11348104
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name(3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C18H21NO5/c1-5-24-14-7-6-11(8-13(14)19)17(20)12-9-15(21-2)18(23-4)16(10-12)22-3/h6-10H,5,19H2,1-4H3
InChIKeyZESHEIFJMOQTGE-UHFFFAOYSA-N
XLogP2.92
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 11348104) is (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZESHEIFJMOQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-5-24-14-7-6-11(8-13(14)19)17(20)12-9-15(21-2)18(23-4)16(10-12)22-3/h6-10H,5,19H2,1-4H3.
What are the key properties of (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 331.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11348104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).