2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol

C32H43N5O2 — CID 135225069

IUPAC2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol
SMILESCCCCCCCCCCN(CCO)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccccc3)cc2OC)cc1
InChIInChI=1S/C32H43N5O2/c1-4-5-6-7-8-9-10-14-21-37(22-23-38)29-19-17-28(18-20-29)34-36-31-24-26(2)30(25-32(31)39-3)35-33-27-15-12-11-13-16-27/h11-13,15-20,24-25,38H,4-10,14,21-23H2,1-3H3/b35-33+,36-34+
InChIKeyJRXFMQPNZDNLMZ-LBYUQGKWSA-N
MW529.73 g/mol
LogP9.77
Rot. Bonds17

About 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol

2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol (PubChem CID 135225069) has the molecular formula C32H43N5O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol
PubChem CID135225069
Molecular FormulaC32H43N5O2
Molecular Weight529.73 g/mol
Exact Mass529.34
IUPAC Name2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol
SMILESCCCCCCCCCCN(CCO)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccccc3)cc2OC)cc1
InChIInChI=1S/C32H43N5O2/c1-4-5-6-7-8-9-10-14-21-37(22-23-38)29-19-17-28(18-20-29)34-36-31-24-26(2)30(25-32(31)39-3)35-33-27-15-12-11-13-16-27/h11-13,15-20,24-25,38H,4-10,14,21-23H2,1-3H3/b35-33+,36-34+
InChIKeyJRXFMQPNZDNLMZ-LBYUQGKWSA-N
XLogP9.77
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

2-[N-butyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol;ethane
CID 145172306
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol
CID 158902858
2-[N-dodecyl-4-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl 2,2-dimethylpropanoate
CID 135225068
2-[5-[[4-[heptyl(octyl)amino]-2-methylphenyl]diazenyl]-4-(2-hydroxyethoxy)-2-[(4-nitrosophenyl)diazenyl]phenoxy]ethanol
CID 123571359
2-[N-(2-hydroxyethyl)-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanolate
CID 176862758
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-nitrosoethyl)anilino]ethanol
CID 90378459
4-[(4-bromophenyl)diazenyl]-N-butyl-N-hexylaniline
CID 169054222
2-[4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]-N-propylanilino]ethanol;2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[N-(2-hydroxyethyl)-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol
CID 159309200
[5-methoxy-2-methyl-4-[[2-methyl-4-(4-pentoxyphenoxy)phenyl]diazenyl]phenyl]-[4-[[2-methyl-4-(4-pentoxyphenoxy)phenyl]diazenyl]phenyl]diazene
CID 88703398
4-[4-(3-carboxylatopropoxy)-5-[[4-(dioctylamino)-2-methylphenyl]diazenyl]-2-[(4-nitrophenyl)diazenyl]phenoxy]butanoate
CID 131741528
N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline
CID 118565779
N,N-di(nonyl)aniline
CID 22637953

Frequently Asked Questions

What is the IUPAC name of 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol (CID 135225069) is 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol is CCCCCCCCCCN(CCO)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccccc3)cc2OC)cc1.
What is the InChIKey of 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol?
The InChIKey is JRXFMQPNZDNLMZ-LBYUQGKWSA-N. The full InChI is InChI=1S/C32H43N5O2/c1-4-5-6-7-8-9-10-14-21-37(22-23-38)29-19-17-28(18-20-29)34-36-31-24-26(2)30(25-32(31)39-3)35-33-27-15-12-11-13-16-27/h11-13,15-20,24-25,38H,4-10,14,21-23H2,1-3H3/b35-33+,36-34+.
What are the key properties of 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol?
2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol has a molecular weight of 529.73 g/mol, XLogP of 9.77, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol is sourced from PubChem (CID 135225069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).