2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide

C24H37NO3 — CID 10385568

IUPAC2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)ccc2c1OCCC2=O
InChIInChI=1S/C24H37NO3/c1-5-6-7-8-9-10-11-12-16-24(3,4)23(27)25-21-18(2)13-14-19-20(26)15-17-28-22(19)21/h13-14H,5-12,15-17H2,1-4H3,(H,25,27)
InChIKeyLNHKHXUKNRERNT-UHFFFAOYSA-N
MW387.56 g/mol
LogP6.46
Rot. Bonds11

About 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide

2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide (PubChem CID 10385568) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide
PubChem CID10385568
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Name2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)ccc2c1OCCC2=O
InChIInChI=1S/C24H37NO3/c1-5-6-7-8-9-10-11-12-16-24(3,4)23(27)25-21-18(2)13-14-19-20(26)15-17-28-22(19)21/h13-14H,5-12,15-17H2,1-4H3,(H,25,27)
InChIKeyLNHKHXUKNRERNT-UHFFFAOYSA-N
XLogP6.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide?
The IUPAC name of 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide (CID 10385568) is 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide.
What is the SMILES notation for 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide?
The canonical SMILES for 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)ccc2c1OCCC2=O.
What is the InChIKey of 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide?
The InChIKey is LNHKHXUKNRERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO3/c1-5-6-7-8-9-10-11-12-16-24(3,4)23(27)25-21-18(2)13-14-19-20(26)15-17-28-22(19)21/h13-14H,5-12,15-17H2,1-4H3,(H,25,27).
What are the key properties of 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide?
2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide has a molecular weight of 387.56 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide is sourced from PubChem (CID 10385568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).