N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide

C26H30N2O5 — CID 70365404

IUPACN-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)C)c2c(=O)cc(-c3ccccc3NC(=O)C(C)(C)C)oc12
InChIInChI=1S/C26H30N2O5/c1-25(2,3)23(30)27-16-11-9-8-10-15(16)20-14-18(29)21-17(28-24(31)26(4,5)6)12-13-19(32-7)22(21)33-20/h8-14H,1-7H3,(H,27,30)(H,28,31)
InChIKeyKVADNELASDNYSR-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.44
Rot. Bonds4

About N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide

N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide (PubChem CID 70365404) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide
PubChem CID70365404
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)C)c2c(=O)cc(-c3ccccc3NC(=O)C(C)(C)C)oc12
InChIInChI=1S/C26H30N2O5/c1-25(2,3)23(30)27-16-11-9-8-10-15(16)20-14-18(29)21-17(28-24(31)26(4,5)6)12-13-19(32-7)22(21)33-20/h8-14H,1-7H3,(H,27,30)(H,28,31)
InChIKeyKVADNELASDNYSR-UHFFFAOYSA-N
XLogP5.44
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide
CID 70365223
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
CID 70365465
5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate
CID 162778633
N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434934
N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968437
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide (CID 70365404) is N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide is COc1ccc(NC(=O)C(C)(C)C)c2c(=O)cc(-c3ccccc3NC(=O)C(C)(C)C)oc12.
What is the InChIKey of N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The InChIKey is KVADNELASDNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-25(2,3)23(30)27-16-11-9-8-10-15(16)20-14-18(29)21-17(28-24(31)26(4,5)6)12-13-19(32-7)22(21)33-20/h8-14H,1-7H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide has a molecular weight of 450.54 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 70365404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).