N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide

C24H39NO3 — CID 10408026

IUPACN-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2
InChIInChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-17-24(2,3)23(26)25-21-20(27-4)16-15-19-14-13-18-28-22(19)21/h15-16H,5-14,17-18H2,1-4H3,(H,25,26)
InChIKeyQFHAMWWYOSNBMD-UHFFFAOYSA-N
MW389.58 g/mol
LogP6.52
Rot. Bonds12

About N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide

N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide (PubChem CID 10408026) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide
PubChem CID10408026
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC NameN-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2
InChIInChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-17-24(2,3)23(26)25-21-20(27-4)16-15-19-14-13-18-28-22(19)21/h15-16H,5-14,17-18H2,1-4H3,(H,25,26)
InChIKeyQFHAMWWYOSNBMD-UHFFFAOYSA-N
XLogP6.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 56.52
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 N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide?
The IUPAC name of N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide (CID 10408026) is N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide.
What is the SMILES notation for N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide?
The canonical SMILES for N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2.
What is the InChIKey of N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide?
The InChIKey is QFHAMWWYOSNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-17-24(2,3)23(26)25-21-20(27-4)16-15-19-14-13-18-28-22(19)21/h15-16H,5-14,17-18H2,1-4H3,(H,25,26).
What are the key properties of N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide?
N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide has a molecular weight of 389.58 g/mol, XLogP of 6.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide is sourced from PubChem (CID 10408026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).