7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one

C26H25NO3 — CID 122180470

IUPAC7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
SMILESCN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1
InChIInChI=1S/C26H25NO3/c1-27(18-21-5-3-2-4-6-21)16-15-20-7-9-22(10-8-20)19-29-24-13-11-23-12-14-26(28)30-25(23)17-24/h2-14,17H,15-16,18-19H2,1H3
InChIKeySSLYWYJILUOQSF-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.05
Rot. Bonds8

About 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one

7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one (PubChem CID 122180470) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
PubChem CID122180470
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
SMILESCN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1
InChIInChI=1S/C26H25NO3/c1-27(18-21-5-3-2-4-6-21)16-15-20-7-9-22(10-8-20)19-29-24-13-11-23-12-14-26(28)30-25(23)17-24/h2-14,17H,15-16,18-19H2,1H3
InChIKeySSLYWYJILUOQSF-UHFFFAOYSA-N
XLogP5.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one with MolForge

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

Launch Full Analysis

Related Compounds

7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
6-phenylmethoxychromen-2-one
CID 59816113
(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
7-[(3,5-diaminophenyl)methoxy]chromen-2-one
CID 89404478
4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139
4-(hydroxymethyl)-7-[[4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]phenyl]methoxy]chromen-2-one
CID 177377058
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
CID 177465411
4-methyl-7-phenylmethoxychromen-2-one
CID 728520

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one?
The IUPAC name of 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one (CID 122180470) is 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one is CN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1.
What is the InChIKey of 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one?
The InChIKey is SSLYWYJILUOQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-27(18-21-5-3-2-4-6-21)16-15-20-7-9-22(10-8-20)19-29-24-13-11-23-12-14-26(28)30-25(23)17-24/h2-14,17H,15-16,18-19H2,1H3.
What are the key properties of 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one?
7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one has a molecular weight of 399.49 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one is sourced from PubChem (CID 122180470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).