7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one

C20H21NO3 — CID 9256149

IUPAC7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
SMILESCCc1ccc2c(CNCCOc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H21NO3/c1-2-15-8-9-18-16(13-20(22)24-19(18)12-15)14-21-10-11-23-17-6-4-3-5-7-17/h3-9,12-13,21H,2,10-11,14H2,1H3
InChIKeyUUUOGOXMCFHHEE-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.52
Rot. Bonds7

About 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one

7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one (PubChem CID 9256149) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
PubChem CID9256149
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
SMILESCCc1ccc2c(CNCCOc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H21NO3/c1-2-15-8-9-18-16(13-20(22)24-19(18)12-15)14-21-10-11-23-17-6-4-3-5-7-17/h3-9,12-13,21H,2,10-11,14H2,1H3
InChIKeyUUUOGOXMCFHHEE-UHFFFAOYSA-N
XLogP3.52
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264105
4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 9436672
6,7-dimethyl-4-[[2-(4-methylphenoxy)ethylamino]methyl]chromen-2-one
CID 9256827
7-methoxy-4-[(3-phenylpropylamino)methyl]chromen-2-one
CID 9265675
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
(7-ethyl-2-oxochromen-4-yl)methyl (2R)-2-phenoxypropanoate
CID 8791114
4-[(2-chlorophenoxy)methyl]-7-ethylchromen-2-one
CID 7815926
4-[[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-7-ethylchromen-2-one
CID 9256104
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 9139517
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
7-ethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one
CID 7816839

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one?
The IUPAC name of 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one (CID 9256149) is 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one.
What is the SMILES notation for 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one?
The canonical SMILES for 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one is CCc1ccc2c(CNCCOc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one?
The InChIKey is UUUOGOXMCFHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-15-8-9-18-16(13-20(22)24-19(18)12-15)14-21-10-11-23-17-6-4-3-5-7-17/h3-9,12-13,21H,2,10-11,14H2,1H3.
What are the key properties of 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one?
7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one is sourced from PubChem (CID 9256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).