2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol

C17H27NO5 — CID 137151519

IUPAC2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol
SMILESCC/N=C(\C)c1cccc(OCCOCCOCCOC)c1O
InChIInChI=1S/C17H27NO5/c1-4-18-14(2)15-6-5-7-16(17(15)19)23-13-12-22-11-10-21-9-8-20-3/h5-7,19H,4,8-13H2,1-3H3/b18-14+
InChIKeyLCASLGFVLRUXLV-NBVRZTHBSA-N
MW325.41 g/mol
LogP2.28
Rot. Bonds12

About 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol

2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol (PubChem CID 137151519) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol.

Molecular Properties

Compound Name2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol
PubChem CID137151519
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol
SMILESCC/N=C(\C)c1cccc(OCCOCCOCCOC)c1O
InChIInChI=1S/C17H27NO5/c1-4-18-14(2)15-6-5-7-16(17(15)19)23-13-12-22-11-10-21-9-8-20-3/h5-7,19H,4,8-13H2,1-3H3/b18-14+
InChIKeyLCASLGFVLRUXLV-NBVRZTHBSA-N
XLogP2.28
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid
CID 136783093
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229
2-[2-[2-[2-[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethylamino]ethylamino]ethylamino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 135475453
2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 135438085

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol?
The IUPAC name of 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol (CID 137151519) is 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol.
What is the SMILES notation for 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol?
The canonical SMILES for 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol is CC/N=C(\C)c1cccc(OCCOCCOCCOC)c1O.
What is the InChIKey of 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol?
The InChIKey is LCASLGFVLRUXLV-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H27NO5/c1-4-18-14(2)15-6-5-7-16(17(15)19)23-13-12-22-11-10-21-9-8-20-3/h5-7,19H,4,8-13H2,1-3H3/b18-14+.
What are the key properties of 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol?
2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol has a molecular weight of 325.41 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol is sourced from PubChem (CID 137151519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).