N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide

C26H39NO4 — CID 10071315

IUPACN-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c(=O)cc(CC)oc12
InChIInChI=1S/C26H39NO4/c1-6-8-9-10-11-12-13-14-17-26(3,4)25(29)27-23-22(30-5)16-15-20-21(28)18-19(7-2)31-24(20)23/h15-16,18H,6-14,17H2,1-5H3,(H,27,29)
InChIKeyDYRANSXLAKFTAH-UHFFFAOYSA-N
MW429.60 g/mol
LogP6.86
Rot. Bonds13

About N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide

N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide (PubChem CID 10071315) has the molecular formula C26H39NO4 and a molecular weight of 429.60 g/mol. Its IUPAC name is N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide
PubChem CID10071315
Molecular FormulaC26H39NO4
Molecular Weight429.60 g/mol
Exact Mass429.29
IUPAC NameN-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c(=O)cc(CC)oc12
InChIInChI=1S/C26H39NO4/c1-6-8-9-10-11-12-13-14-17-26(3,4)25(29)27-23-22(30-5)16-15-20-21(28)18-19(7-2)31-24(20)23/h15-16,18H,6-14,17H2,1-5H3,(H,27,29)
InChIKeyDYRANSXLAKFTAH-UHFFFAOYSA-N
XLogP6.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 56.86
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-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
The IUPAC name of N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide (CID 10071315) is N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide.
What is the SMILES notation for N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
The canonical SMILES for N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c(=O)cc(CC)oc12.
What is the InChIKey of N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
The InChIKey is DYRANSXLAKFTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO4/c1-6-8-9-10-11-12-13-14-17-26(3,4)25(29)27-23-22(30-5)16-15-20-21(28)18-19(7-2)31-24(20)23/h15-16,18H,6-14,17H2,1-5H3,(H,27,29).
What are the key properties of N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide?
N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide has a molecular weight of 429.60 g/mol, XLogP of 6.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-7-methoxy-4-oxochromen-8-yl)-2,2-dimethyldodecanamide is sourced from PubChem (CID 10071315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).