7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one

C21H23NO2 — CID 9264105

IUPAC7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one
SMILESCCc1ccc2c(CNC[C@H](C)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C21H23NO2/c1-3-16-9-10-19-18(12-21(23)24-20(19)11-16)14-22-13-15(2)17-7-5-4-6-8-17/h4-12,15,22H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyIGSWCZQHJDODOB-HNNXBMFYSA-N
MW321.42 g/mol
LogP4.25
Rot. Bonds6

About 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one

7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one (PubChem CID 9264105) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one
PubChem CID9264105
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one
SMILESCCc1ccc2c(CNC[C@H](C)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C21H23NO2/c1-3-16-9-10-19-18(12-21(23)24-20(19)11-16)14-22-13-15(2)17-7-5-4-6-8-17/h4-12,15,22H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyIGSWCZQHJDODOB-HNNXBMFYSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108
7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
CID 9256149
4-[[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-7-ethylchromen-2-one
CID 9256104
7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one
CID 9266024
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
6-ethyl-7-hydroxy-4-[[[(2R)-2-phenylbutyl]amino]methyl]chromen-2-one
CID 8750080
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
4-[(4-benzoylpyridin-1-ium-1-yl)methyl]-7-ethylchromen-2-one
CID 8858682
4-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-hydroxychromen-2-one
CID 8992297
7-ethyl-4-[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]chromen-2-one
CID 9052092
2-[(7-ethyl-2-oxochromen-4-yl)methylamino]-N-phenylbenzamide
CID 9347721
3-[[(7-ethyl-2-oxochromen-4-yl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 167938320

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one?
The IUPAC name of 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one (CID 9264105) is 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one.
What is the SMILES notation for 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one?
The canonical SMILES for 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one is CCc1ccc2c(CNC[C@H](C)c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one?
The InChIKey is IGSWCZQHJDODOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-16-9-10-19-18(12-21(23)24-20(19)11-16)14-22-13-15(2)17-7-5-4-6-8-17/h4-12,15,22H,3,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one?
7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one is sourced from PubChem (CID 9264105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).