8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one

C23H28N2O5 — CID 171907016

IUPAC8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)N3CCC4(CCC(=O)N4C)CC3)ccc12
InChIInChI=1S/C23H28N2O5/c1-4-16-13-21(27)30-19-14-17(5-6-18(16)19)29-15(2)22(28)25-11-9-23(10-12-25)8-7-20(26)24(23)3/h5-6,13-15H,4,7-12H2,1-3H3
InChIKeyVGHQCKCFTYNNJL-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.74
Rot. Bonds4

About 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one

8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 171907016) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID171907016
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)N3CCC4(CCC(=O)N4C)CC3)ccc12
InChIInChI=1S/C23H28N2O5/c1-4-16-13-21(27)30-19-14-17(5-6-18(16)19)29-15(2)22(28)25-11-9-23(10-12-25)8-7-20(26)24(23)3/h5-6,13-15H,4,7-12H2,1-3H3
InChIKeyVGHQCKCFTYNNJL-UHFFFAOYSA-N
XLogP2.74
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 171910311
4-ethyl-7-[1-oxo-1-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-2-yl]oxychromen-2-one
CID 171908811
4-ethyl-7-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxychromen-2-one
CID 171912720
7-[(2R)-1-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 7091144
acetic acid;7-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 172896663
4-ethyl-7-[1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]oxychromen-2-one
CID 171912201
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
7-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
CID 171916185
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one (CID 171907016) is 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one is CCc1cc(=O)oc2cc(OC(C)C(=O)N3CCC4(CCC(=O)N4C)CC3)ccc12.
What is the InChIKey of 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VGHQCKCFTYNNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-16-13-21(27)30-19-14-17(5-6-18(16)19)29-15(2)22(28)25-11-9-23(10-12-25)8-7-20(26)24(23)3/h5-6,13-15H,4,7-12H2,1-3H3.
What are the key properties of 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 412.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 171907016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).