N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide

C26H41NO4 — CID 129203034

IUPACN-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cc2c(cc1O)OC(O)C=C2C
InChIInChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-22-18-21-20(2)17-26(30)31-24(21)19-23(22)28/h17-19,26,28,30H,3-16H2,1-2H3,(H,27,29)
InChIKeyQDLHXEMQASRJQE-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.93
Rot. Bonds15

About N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide

N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide (PubChem CID 129203034) has the molecular formula C26H41NO4 and a molecular weight of 431.62 g/mol. Its IUPAC name is N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide.

Molecular Properties

Compound NameN-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide
PubChem CID129203034
Molecular FormulaC26H41NO4
Molecular Weight431.62 g/mol
Exact Mass431.30
IUPAC NameN-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cc2c(cc1O)OC(O)C=C2C
InChIInChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-22-18-21-20(2)17-26(30)31-24(21)19-23(22)28/h17-19,26,28,30H,3-16H2,1-2H3,(H,27,29)
InChIKeyQDLHXEMQASRJQE-UHFFFAOYSA-N
XLogP6.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 20778606
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CID 19788174
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
N-(2-hydroxy-5-phenylphenyl)octanamide
CID 155558351
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297

Frequently Asked Questions

What is the IUPAC name of N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide?
The IUPAC name of N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide (CID 129203034) is N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide.
What is the SMILES notation for N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide?
The canonical SMILES for N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1cc2c(cc1O)OC(O)C=C2C.
What is the InChIKey of N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide?
The InChIKey is QDLHXEMQASRJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-22-18-21-20(2)17-26(30)31-24(21)19-23(22)28/h17-19,26,28,30H,3-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide?
N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide has a molecular weight of 431.62 g/mol, XLogP of 6.93, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide is sourced from PubChem (CID 129203034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).