2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol

C22H31N3O5 — CID 122208894

IUPAC2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOc1ccc(/N=N/c2ccc(N(C)CCOCCOCCOCCO)cc2)cc1
InChIInChI=1S/C22H31N3O5/c1-25(11-13-28-15-17-30-18-16-29-14-12-26)21-7-3-19(4-8-21)23-24-20-5-9-22(27-2)10-6-20/h3-10,26H,11-18H2,1-2H3/b24-23+
InChIKeyRLIZQNGFISSGBM-WCWDXBQESA-N
MW417.51 g/mol
LogP3.59
Rot. Bonds15

About 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 122208894) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID122208894
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOc1ccc(/N=N/c2ccc(N(C)CCOCCOCCOCCO)cc2)cc1
InChIInChI=1S/C22H31N3O5/c1-25(11-13-28-15-17-30-18-16-29-14-12-26)21-7-3-19(4-8-21)23-24-20-5-9-22(27-2)10-6-20/h3-10,26H,11-18H2,1-2H3/b24-23+
InChIKeyRLIZQNGFISSGBM-WCWDXBQESA-N
XLogP3.59
TPSA85.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
CID 111439695
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751
6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate
CID 122396609
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride
CID 130422065
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol
CID 156647380
4-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(4-methoxyphenyl)aniline
CID 139670225

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol (CID 122208894) is 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol is COc1ccc(/N=N/c2ccc(N(C)CCOCCOCCOCCO)cc2)cc1.
What is the InChIKey of 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is RLIZQNGFISSGBM-WCWDXBQESA-N. The full InChI is InChI=1S/C22H31N3O5/c1-25(11-13-28-15-17-30-18-16-29-14-12-26)21-7-3-19(4-8-21)23-24-20-5-9-22(27-2)10-6-20/h3-10,26H,11-18H2,1-2H3/b24-23+.
What are the key properties of 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 417.51 g/mol, XLogP of 3.59, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 122208894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).