N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide

C32H48N4O2 — CID 3615638

IUPACN-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCCCCC)c1
InChIInChI=1S/C32H48N4O2/c1-3-5-7-9-11-13-18-22-31(37)33-28-24-25-29(36-35-27-20-16-15-17-21-27)30(26-28)34-32(38)23-19-14-12-10-8-6-4-2/h15-17,20-21,24-26H,3-14,18-19,22-23H2,1-2H3,(H,33,37)(H,34,38)/b36-35+
InChIKeyQXIJGXYUHYJPOI-ULDVOPSXSA-N
MW520.76 g/mol
LogP10.26
Rot. Bonds20

About N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide

N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide (PubChem CID 3615638) has the molecular formula C32H48N4O2 and a molecular weight of 520.76 g/mol. Its IUPAC name is N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide.

Molecular Properties

Compound NameN-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
PubChem CID3615638
Molecular FormulaC32H48N4O2
Molecular Weight520.76 g/mol
Exact Mass520.38
IUPAC NameN-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCCCCC)c1
InChIInChI=1S/C32H48N4O2/c1-3-5-7-9-11-13-18-22-31(37)33-28-24-25-29(36-35-27-20-16-15-17-21-27)30(26-28)34-32(38)23-19-14-12-10-8-6-4-2/h15-17,20-21,24-26H,3-14,18-19,22-23H2,1-2H3,(H,33,37)(H,34,38)/b36-35+
InChIKeyQXIJGXYUHYJPOI-ULDVOPSXSA-N
XLogP10.26
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 510.26
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-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
CID 5050785
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-(decanoylamino)-4-phenyldiazenylphenyl]decanamide?
The IUPAC name of N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide (CID 3615638) is N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide.
What is the SMILES notation for N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide?
The canonical SMILES for N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCCCCC)c1.
What is the InChIKey of N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide?
The InChIKey is QXIJGXYUHYJPOI-ULDVOPSXSA-N. The full InChI is InChI=1S/C32H48N4O2/c1-3-5-7-9-11-13-18-22-31(37)33-28-24-25-29(36-35-27-20-16-15-17-21-27)30(26-28)34-32(38)23-19-14-12-10-8-6-4-2/h15-17,20-21,24-26H,3-14,18-19,22-23H2,1-2H3,(H,33,37)(H,34,38)/b36-35+.
What are the key properties of N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide?
N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide has a molecular weight of 520.76 g/mol, XLogP of 10.26, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide is sourced from PubChem (CID 3615638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).