7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one

C20H21NO3 — CID 11151459

IUPAC7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
SMILESCOc1ccc2c(CN(C)CCc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H21NO3/c1-21(11-10-15-6-4-3-5-7-15)14-16-12-20(22)24-19-13-17(23-2)8-9-18(16)19/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyOJJLBZUAMCWTJN-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.48
Rot. Bonds6

About 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one

7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one (PubChem CID 11151459) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
PubChem CID11151459
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
SMILESCOc1ccc2c(CN(C)CCc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H21NO3/c1-21(11-10-15-6-4-3-5-7-15)14-16-12-20(22)24-19-13-17(23-2)8-9-18(16)19/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyOJJLBZUAMCWTJN-UHFFFAOYSA-N
XLogP3.48
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2690617
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7-methoxy-4-[(3-phenylpropylamino)methyl]chromen-2-one
CID 9265675
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
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CID 55628357
4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methoxychromen-2-one
CID 46269046
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
benzyl carbamate;3-(7-methoxy-2-oxochromen-4-yl)propanoic acid
CID 143086252
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
7-methoxy-4-[(N,2,5-trimethylanilino)methyl]chromen-2-one
CID 52689134

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one (CID 11151459) is 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one is COc1ccc2c(CN(C)CCc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one?
The InChIKey is OJJLBZUAMCWTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21(11-10-15-6-4-3-5-7-15)14-16-12-20(22)24-19-13-17(23-2)8-9-18(16)19/h3-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one?
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one is sourced from PubChem (CID 11151459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).