N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide

C23H33NO3 — CID 162800707

IUPACN-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide
SMILESCCCCCCC(C)C=C(C)C=CC(=O)NC1Cc2ccccc2OC1O
InChIInChI=1S/C23H33NO3/c1-4-5-6-7-10-17(2)15-18(3)13-14-22(25)24-20-16-19-11-8-9-12-21(19)27-23(20)26/h8-9,11-15,17,20,23,26H,4-7,10,16H2,1-3H3,(H,24,25)
InChIKeyQSMNOZMIWMHZFD-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.53
Rot. Bonds9

About N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide

N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide (PubChem CID 162800707) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide.

Molecular Properties

Compound NameN-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide
PubChem CID162800707
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC NameN-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide
SMILESCCCCCCC(C)C=C(C)C=CC(=O)NC1Cc2ccccc2OC1O
InChIInChI=1S/C23H33NO3/c1-4-5-6-7-10-17(2)15-18(3)13-14-22(25)24-20-16-19-11-8-9-12-21(19)27-23(20)26/h8-9,11-15,17,20,23,26H,4-7,10,16H2,1-3H3,(H,24,25)
InChIKeyQSMNOZMIWMHZFD-UHFFFAOYSA-N
XLogP4.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide?
The IUPAC name of N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide (CID 162800707) is N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide.
What is the SMILES notation for N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide?
The canonical SMILES for N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide is CCCCCCC(C)C=C(C)C=CC(=O)NC1Cc2ccccc2OC1O.
What is the InChIKey of N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide?
The InChIKey is QSMNOZMIWMHZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-4-5-6-7-10-17(2)15-18(3)13-14-22(25)24-20-16-19-11-8-9-12-21(19)27-23(20)26/h8-9,11-15,17,20,23,26H,4-7,10,16H2,1-3H3,(H,24,25).
What are the key properties of N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide?
N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide has a molecular weight of 371.52 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4,6-dimethyldodeca-2,4-dienamide is sourced from PubChem (CID 162800707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).