N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

C25H27NO6 — CID 56763657

IUPACN-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)NC4CCOC(C)(C)C4)cc3)c(=O)oc12
InChIInChI=1S/C25H27NO6/c1-25(2)14-18(11-12-31-25)26-22(27)15-30-19-9-7-16(8-10-19)20-13-17-5-4-6-21(29-3)23(17)32-24(20)28/h4-10,13,18H,11-12,14-15H2,1-3H3,(H,26,27)
InChIKeyKVWLMVRJIDCWEN-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.92
Rot. Bonds6

About N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide (PubChem CID 56763657) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
PubChem CID56763657
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)NC4CCOC(C)(C)C4)cc3)c(=O)oc12
InChIInChI=1S/C25H27NO6/c1-25(2)14-18(11-12-31-25)26-22(27)15-30-19-9-7-16(8-10-19)20-13-17-5-4-6-21(29-3)23(17)32-24(20)28/h4-10,13,18H,11-12,14-15H2,1-3H3,(H,26,27)
InChIKeyKVWLMVRJIDCWEN-UHFFFAOYSA-N
XLogP3.92
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
CID 42570146
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42507195
N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42648681
8-methoxy-3-phenylchromen-2-one
CID 2195449
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
CID 42650118
3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
CID 83034462
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 95369830
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-8-methoxychromen-2-one
CID 3430818
3-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 21239652
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 4085984
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide (CID 56763657) is N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide is COc1cccc2cc(-c3ccc(OCC(=O)NC4CCOC(C)(C)C4)cc3)c(=O)oc12.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The InChIKey is KVWLMVRJIDCWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-25(2)14-18(11-12-31-25)26-22(27)15-30-19-9-7-16(8-10-19)20-13-17-5-4-6-21(29-3)23(17)32-24(20)28/h4-10,13,18H,11-12,14-15H2,1-3H3,(H,26,27).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide has a molecular weight of 437.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide is sourced from PubChem (CID 56763657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).