2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide

C25H34N2O4 — CID 10342423

IUPAC2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
SMILESCCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1
InChIInChI=1S/C25H34N2O4/c1-4-15-27(19-17-21-23(30-3)12-9-13-24(21)31-18-19)16-8-7-14-26-25(28)20-10-5-6-11-22(20)29-2/h5-6,9-13,19H,4,7-8,14-18H2,1-3H3,(H,26,28)
InChIKeyCZSCSNOFEQMOLJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.93
Rot. Bonds11

About 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide

2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide (PubChem CID 10342423) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
PubChem CID10342423
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
SMILESCCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1
InChIInChI=1S/C25H34N2O4/c1-4-15-27(19-17-21-23(30-3)12-9-13-24(21)31-18-19)16-8-7-14-26-25(28)20-10-5-6-11-22(20)29-2/h5-6,9-13,19H,4,7-8,14-18H2,1-3H3,(H,26,28)
InChIKeyCZSCSNOFEQMOLJ-UHFFFAOYSA-N
XLogP3.93
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide 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 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide (CID 10342423) is 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide is CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1.
What is the InChIKey of 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide?
The InChIKey is CZSCSNOFEQMOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-4-15-27(19-17-21-23(30-3)12-9-13-24(21)31-18-19)16-8-7-14-26-25(28)20-10-5-6-11-22(20)29-2/h5-6,9-13,19H,4,7-8,14-18H2,1-3H3,(H,26,28).
What are the key properties of 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide?
2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide is sourced from PubChem (CID 10342423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).