2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol

C19H34N2O7 — CID 158626212

IUPAC2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol
SMILESCCOCCN(CCOCO)c1ccc(N(CCOCO)CCOCO)cc1
InChIInChI=1S/C19H34N2O7/c1-2-25-11-7-20(8-12-26-15-22)18-3-5-19(6-4-18)21(9-13-27-16-23)10-14-28-17-24/h3-6,22-24H,2,7-17H2,1H3
InChIKeyWYGFWOHYHWICFW-UHFFFAOYSA-N
MW402.49 g/mol
LogP0.24
Rot. Bonds18

About 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol

2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol (PubChem CID 158626212) has the molecular formula C19H34N2O7 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol.

Molecular Properties

Compound Name2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol
PubChem CID158626212
Molecular FormulaC19H34N2O7
Molecular Weight402.49 g/mol
Exact Mass402.24
IUPAC Name2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol
SMILESCCOCCN(CCOCO)c1ccc(N(CCOCO)CCOCO)cc1
InChIInChI=1S/C19H34N2O7/c1-2-25-11-7-20(8-12-26-15-22)18-3-5-19(6-4-18)21(9-13-27-16-23)10-14-28-17-24/h3-6,22-24H,2,7-17H2,1H3
InChIKeyWYGFWOHYHWICFW-UHFFFAOYSA-N
XLogP0.24
TPSA104.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[N-(2-ethoxyethyl)-4-[[4-[2-(hydroxymethoxy)ethyl-(hydroxymethyl)amino]phenyl]methyl]anilino]methanol
CID 122645262
[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
CID 82951073
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
N-benzyl-N-(2-ethoxyethyl)aniline
CID 57253291
4-[3-ethoxypropyl(ethyl)amino]phenol
CID 57229004
4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
CID 82951514
4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
[2-[bis(2-ethoxyethyl)amino]-3-pyridinyl]methanol
CID 82960882
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132254
[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol
CID 82951904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol?
The IUPAC name of 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol (CID 158626212) is 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol.
What is the SMILES notation for 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol?
The canonical SMILES for 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol is CCOCCN(CCOCO)c1ccc(N(CCOCO)CCOCO)cc1.
What is the InChIKey of 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol?
The InChIKey is WYGFWOHYHWICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O7/c1-2-25-11-7-20(8-12-26-15-22)18-3-5-19(6-4-18)21(9-13-27-16-23)10-14-28-17-24/h3-6,22-24H,2,7-17H2,1H3.
What are the key properties of 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol?
2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol has a molecular weight of 402.49 g/mol, XLogP of 0.24, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol is sourced from PubChem (CID 158626212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).