N-hentriacontanoyl-4-hydroxybenzamide

C38H67NO3 — CID 139845214

IUPACN-hentriacontanoyl-4-hydroxybenzamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C38H67NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37(41)39-38(42)35-31-33-36(40)34-32-35/h31-34,40H,2-30H2,1H3,(H,39,41,42)
InChIKeyGJJQAAPOUOIUST-UHFFFAOYSA-N
MW585.96 g/mol
LogP11.98
Rot. Bonds30

About N-hentriacontanoyl-4-hydroxybenzamide

N-hentriacontanoyl-4-hydroxybenzamide (PubChem CID 139845214) has the molecular formula C38H67NO3 and a molecular weight of 585.96 g/mol. Its IUPAC name is N-hentriacontanoyl-4-hydroxybenzamide.

Molecular Properties

Compound NameN-hentriacontanoyl-4-hydroxybenzamide
PubChem CID139845214
Molecular FormulaC38H67NO3
Molecular Weight585.96 g/mol
Exact Mass585.51
IUPAC NameN-hentriacontanoyl-4-hydroxybenzamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C38H67NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37(41)39-38(42)35-31-33-36(40)34-32-35/h31-34,40H,2-30H2,1H3,(H,39,41,42)
InChIKeyGJJQAAPOUOIUST-UHFFFAOYSA-N
XLogP11.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.96
LogP ≤ 511.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide
CID 19594231
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
4-nitro-N-octadecanoylbenzamide
CID 102032095
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
N-decyl-4-hydroxybenzamide
CID 15277871
4-methoxy-N-pentanoylbenzamide
CID 175364766
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N-[[(4-methylbenzoyl)amino]carbamothioyl]octanamide
CID 4959033
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159

Frequently Asked Questions

What is the IUPAC name of N-hentriacontanoyl-4-hydroxybenzamide?
The IUPAC name of N-hentriacontanoyl-4-hydroxybenzamide (CID 139845214) is N-hentriacontanoyl-4-hydroxybenzamide.
What is the SMILES notation for N-hentriacontanoyl-4-hydroxybenzamide?
The canonical SMILES for N-hentriacontanoyl-4-hydroxybenzamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-hentriacontanoyl-4-hydroxybenzamide?
The InChIKey is GJJQAAPOUOIUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H67NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37(41)39-38(42)35-31-33-36(40)34-32-35/h31-34,40H,2-30H2,1H3,(H,39,41,42).
What are the key properties of N-hentriacontanoyl-4-hydroxybenzamide?
N-hentriacontanoyl-4-hydroxybenzamide has a molecular weight of 585.96 g/mol, XLogP of 11.98, 30 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hentriacontanoyl-4-hydroxybenzamide is sourced from PubChem (CID 139845214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).