N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide

C24H37NO4 — CID 10363810

IUPACN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)C)OCCC2=O
InChIInChI=1S/C24H37NO4/c1-5-6-7-8-9-10-11-12-16-28-20-14-13-18-19(26)15-17-29-22(18)21(20)25-23(27)24(2,3)4/h13-14H,5-12,15-17H2,1-4H3,(H,25,27)
InChIKeyLSJKXHRFYSUPSC-UHFFFAOYSA-N
MW403.56 g/mol
LogP6.16
Rot. Bonds11

About N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide

N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide (PubChem CID 10363810) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide
PubChem CID10363810
Molecular FormulaC24H37NO4
Molecular Weight403.56 g/mol
Exact Mass403.27
IUPAC NameN-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)C)OCCC2=O
InChIInChI=1S/C24H37NO4/c1-5-6-7-8-9-10-11-12-16-28-20-14-13-18-19(26)15-17-29-22(18)21(20)25-23(27)24(2,3)4/h13-14H,5-12,15-17H2,1-4H3,(H,25,27)
InChIKeyLSJKXHRFYSUPSC-UHFFFAOYSA-N
XLogP6.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide (CID 10363810) is N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide is CCCCCCCCCCOc1ccc2c(c1NC(=O)C(C)(C)C)OCCC2=O.
What is the InChIKey of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide?
The InChIKey is LSJKXHRFYSUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO4/c1-5-6-7-8-9-10-11-12-16-28-20-14-13-18-19(26)15-17-29-22(18)21(20)25-23(27)24(2,3)4/h13-14H,5-12,15-17H2,1-4H3,(H,25,27).
What are the key properties of N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide?
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide has a molecular weight of 403.56 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10363810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).