N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

C26H31NO4 — CID 29433605

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1
InChIInChI=1S/C26H31NO4/c1-15(2)19-8-7-9-20(16(3)4)26(19)27-24(28)14-30-18-10-11-21-22(17(5)6)13-25(29)31-23(21)12-18/h7-13,15-17H,14H2,1-6H3,(H,27,28)
InChIKeyBYKLXSDVJAORGN-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.18
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (PubChem CID 29433605) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
PubChem CID29433605
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1
InChIInChI=1S/C26H31NO4/c1-15(2)19-8-7-9-20(16(3)4)26(19)27-24(28)14-30-18-10-11-21-22(17(5)6)13-25(29)31-23(21)12-18/h7-13,15-17H,14H2,1-6H3,(H,27,28)
InChIKeyBYKLXSDVJAORGN-UHFFFAOYSA-N
XLogP6.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700484
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 41350251
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700608
N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 29433424
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (CID 29433605) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The InChIKey is BYKLXSDVJAORGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-15(2)19-8-7-9-20(16(3)4)26(19)27-24(28)14-30-18-10-11-21-22(17(5)6)13-25(29)31-23(21)12-18/h7-13,15-17H,14H2,1-6H3,(H,27,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide has a molecular weight of 421.54 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 29433605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).