N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide

C26H29N5O2 — CID 126491954

IUPACN-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
SMILESCCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C26H29N5O2/c1-3-4-5-6-19-33-26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-9-7-21(8-10-22)27-20(2)32/h7-18H,3-6,19H2,1-2H3,(H,27,32)/b29-28+,31-30+
InChIKeyZMKRGPUKOAPKNS-DUJDKOHPSA-N
MW443.55 g/mol
LogP8.43
Rot. Bonds11

About N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide

N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide (PubChem CID 126491954) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
PubChem CID126491954
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
SMILESCCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C26H29N5O2/c1-3-4-5-6-19-33-26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-9-7-21(8-10-22)27-20(2)32/h7-18H,3-6,19H2,1-2H3,(H,27,32)/b29-28+,31-30+
InChIKeyZMKRGPUKOAPKNS-DUJDKOHPSA-N
XLogP8.43
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
bis(4-heptoxyphenyl)diazene
CID 13087198
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 71261026
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
6-[4-[(4-pentoxyphenyl)diazenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101248287
N-(4-decoxyphenyl)butanamide
CID 143303175
bis[4-[(4-decoxyphenyl)diazenyl]phenyl] tridecanedioate
CID 132525733
[4-[(4-octoxyphenyl)diazenyl]phenyl] 4-dodecoxybenzoate
CID 102441423
4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
CID 136754074

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide (CID 126491954) is N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide is CCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(NC(C)=O)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
The InChIKey is ZMKRGPUKOAPKNS-DUJDKOHPSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-3-4-5-6-19-33-26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-9-7-21(8-10-22)27-20(2)32/h7-18H,3-6,19H2,1-2H3,(H,27,32)/b29-28+,31-30+.
What are the key properties of N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide?
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 8.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 126491954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).