N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide

C28H40N4O2 — CID 5050785

IUPACN-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCCC)c1
InChIInChI=1S/C28H40N4O2/c1-3-5-7-9-14-18-27(33)29-24-20-21-25(32-31-23-16-12-11-13-17-23)26(22-24)30-28(34)19-15-10-8-6-4-2/h11-13,16-17,20-22H,3-10,14-15,18-19H2,1-2H3,(H,29,33)(H,30,34)/b32-31+
InChIKeyKOUBUSSGJNVUQQ-QNEJGDQOSA-N
MW464.65 g/mol
LogP8.70
Rot. Bonds16

About N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide

N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide (PubChem CID 5050785) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide.

Molecular Properties

Compound NameN-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
PubChem CID5050785
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC NameN-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCCC)c1
InChIInChI=1S/C28H40N4O2/c1-3-5-7-9-14-18-27(33)29-24-20-21-25(32-31-23-16-12-11-13-17-23)26(22-24)30-28(34)19-15-10-8-6-4-2/h11-13,16-17,20-22H,3-10,14-15,18-19H2,1-2H3,(H,29,33)(H,30,34)/b32-31+
InChIKeyKOUBUSSGJNVUQQ-QNEJGDQOSA-N
XLogP8.70
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(octadecanoylamino)-4-phenyldiazenylphenyl]octadecanamide
CID 71404813
N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
CID 3615638
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(3-isocyanatophenyl)octadecanamide
CID 71334473
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690

Frequently Asked Questions

What is the IUPAC name of N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide?
The IUPAC name of N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide (CID 5050785) is N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide.
What is the SMILES notation for N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide?
The canonical SMILES for N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide is CCCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCCC)c1.
What is the InChIKey of N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide?
The InChIKey is KOUBUSSGJNVUQQ-QNEJGDQOSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-3-5-7-9-14-18-27(33)29-24-20-21-25(32-31-23-16-12-11-13-17-23)26(22-24)30-28(34)19-15-10-8-6-4-2/h11-13,16-17,20-22H,3-10,14-15,18-19H2,1-2H3,(H,29,33)(H,30,34)/b32-31+.
What are the key properties of N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide?
N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide has a molecular weight of 464.65 g/mol, XLogP of 8.70, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide is sourced from PubChem (CID 5050785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).