3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one

C20H21NO3 — CID 71508422

IUPAC3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
SMILESCN(CCCOc1cc2ccccc2oc1=O)Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-21(15-16-8-3-2-4-9-16)12-7-13-23-19-14-17-10-5-6-11-18(17)24-20(19)22/h2-6,8-11,14H,7,12-13,15H2,1H3
InChIKeyQIXRQPHEQBAFPH-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.69
Rot. Bonds7

About 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one

3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one (PubChem CID 71508422) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one.

Molecular Properties

Compound Name3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
PubChem CID71508422
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
SMILESCN(CCCOc1cc2ccccc2oc1=O)Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-21(15-16-8-3-2-4-9-16)12-7-13-23-19-14-17-10-5-6-11-18(17)24-20(19)22/h2-6,8-11,14H,7,12-13,15H2,1H3
InChIKeyQIXRQPHEQBAFPH-UHFFFAOYSA-N
XLogP3.69
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[benzyl(methyl)amino]propoxy]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

3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
3-(2-chloroethoxy)chromen-2-one
CID 141445941
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
N-benzyl-N-methyl-4-(2,3,5-trimethylphenoxy)butan-1-amine
CID 2182140
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
CID 71508315
2-[2-(2-oxochromen-3-yl)oxyethyl]tetradecanenitrile
CID 20515414
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 142001426
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253

Frequently Asked Questions

What is the IUPAC name of 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one?
The IUPAC name of 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one (CID 71508422) is 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one.
What is the SMILES notation for 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one?
The canonical SMILES for 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one is CN(CCCOc1cc2ccccc2oc1=O)Cc1ccccc1.
What is the InChIKey of 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one?
The InChIKey is QIXRQPHEQBAFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21(15-16-8-3-2-4-9-16)12-7-13-23-19-14-17-10-5-6-11-18(17)24-20(19)22/h2-6,8-11,14H,7,12-13,15H2,1H3.
What are the key properties of 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one?
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one is sourced from PubChem (CID 71508422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).