2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

C23H30N2O5 — CID 8016148

IUPAC2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESC=C(C)COc1ccc2c(C)c(CC(=O)NCCN3CCOCC3)c(=O)oc2c1C
InChIInChI=1S/C23H30N2O5/c1-15(2)14-29-20-6-5-18-16(3)19(23(27)30-22(18)17(20)4)13-21(26)24-7-8-25-9-11-28-12-10-25/h5-6H,1,7-14H2,2-4H3,(H,24,26)
InChIKeyACTSPKSMCIVSKI-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.36
Rot. Bonds8

About 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 8016148) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID8016148
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESC=C(C)COc1ccc2c(C)c(CC(=O)NCCN3CCOCC3)c(=O)oc2c1C
InChIInChI=1S/C23H30N2O5/c1-15(2)14-29-20-6-5-18-16(3)19(23(27)30-22(18)17(20)4)13-21(26)24-7-8-25-9-11-28-12-10-25/h5-6H,1,7-14H2,2-4H3,(H,24,26)
InChIKeyACTSPKSMCIVSKI-UHFFFAOYSA-N
XLogP2.36
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 95369830
N-(2-morpholin-4-ylethyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869685
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544
2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]acetamide
CID 51444310
3-butyl-4,8-dimethyl-7-(2-oxopropoxy)chromen-2-one
CID 4575609
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
methyl 2-(3-ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 889370
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
CID 4868951
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
methyl 2-(7-ethoxy-4,8-dimethyl-2-oxochromen-3-yl)acetate
CID 907353

Frequently Asked Questions

What is the IUPAC name of 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 8016148) is 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is C=C(C)COc1ccc2c(C)c(CC(=O)NCCN3CCOCC3)c(=O)oc2c1C.
What is the InChIKey of 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is ACTSPKSMCIVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-15(2)14-29-20-6-5-18-16(3)19(23(27)30-22(18)17(20)4)13-21(26)24-7-8-25-9-11-28-12-10-25/h5-6H,1,7-14H2,2-4H3,(H,24,26).
What are the key properties of 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 414.50 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 8016148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).