6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one

C23H31NO4 — CID 5270977

IUPAC6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c(C(CC)NCC)c(OC)c3c(c12)OC(C)(C)C=C3
InChIInChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3
InChIKeyJQDHLUOKFDBXQE-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.00
Rot. Bonds7

About 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one

6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one (PubChem CID 5270977) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one.

Molecular Properties

Compound Name6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
PubChem CID5270977
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c(C(CC)NCC)c(OC)c3c(c12)OC(C)(C)C=C3
InChIInChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3
InChIKeyJQDHLUOKFDBXQE-UHFFFAOYSA-N
XLogP5.00
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one with MolForge

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Launch Full Analysis

Related Compounds

5-ethoxy-6-(1-hydroxypropyl)-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
CID 3001668
ethanol;5-methoxy-2,2-dimethyl-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one;5-methoxy-2,2-dimethyl-6-propanoyl-10-propylpyrano[2,3-f]chromen-8-one
CID 157479253
[(4R,5R,6R)-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-yl] acetate
CID 10740404
5-hydroxy-6-(3-hydroxy-2,2-dimethylbutanoyl)-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
CID 5480987
10,10-dimethyl-6,16-dipropyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
CID 24806052
6-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-enyl]-5-hydroxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
CID 5468734
5-hydroxy-8,8-dimethyl-6-[(2R)-2-methylbutanoyl]-4-propylpyrano[2,3-h]chromen-2-one
CID 162847207
5-methoxy-2,2,10-trimethyl-6-(2-methylbutanoyl)pyrano[2,3-f]chromen-8-one
CID 11824440
5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one
CID 90677295
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-6-propanoyl-10-propylpyrano[2,3-f]chromen-8-one
CID 90677250
(2,2-dimethyl-8-oxo-10-propylpyrano[2,3-f]chromen-5-yl) benzoate
CID 90677252
8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
CID 5270980

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
The IUPAC name of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one (CID 5270977) is 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one.
What is the SMILES notation for 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
The canonical SMILES for 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one is CCCc1cc(=O)oc2c(C(CC)NCC)c(OC)c3c(c12)OC(C)(C)C=C3.
What is the InChIKey of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
The InChIKey is JQDHLUOKFDBXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3.
What are the key properties of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one has a molecular weight of 385.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one is sourced from PubChem (CID 5270977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).