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

C19H23NO5 — CID 11187037

IUPAC(3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H23NO5/c1-5-8-25-15-7-6-12(9-14(15)20)18(21)13-10-16(22-2)19(24-4)17(11-13)23-3/h6-7,9-11H,5,8,20H2,1-4H3
InChIKeyWSLWHHNXZILJNE-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.31
Rot. Bonds8

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

(3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11187037) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11187037
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name(3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H23NO5/c1-5-8-25-15-7-6-12(9-14(15)20)18(21)13-10-16(22-2)19(24-4)17(11-13)23-3/h6-7,9-11H,5,8,20H2,1-4H3
InChIKeyWSLWHHNXZILJNE-UHFFFAOYSA-N
XLogP3.31
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 11187037) is (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WSLWHHNXZILJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-5-8-25-15-7-6-12(9-14(15)20)18(21)13-10-16(22-2)19(24-4)17(11-13)23-3/h6-7,9-11H,5,8,20H2,1-4H3.
What are the key properties of (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 345.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-propoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11187037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).