ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate

C17H29NO6 — CID 143274795

IUPACethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
SMILESCC.CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1N
InChIInChI=1S/C15H23NO6.C2H6/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;1-2/h9-10H,4-8,16H2,1-3H3;1-2H3
InChIKeyZNNHRAIQMJVVSI-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.52
Rot. Bonds10

About ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate

ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate (PubChem CID 143274795) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Nameethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
PubChem CID143274795
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Nameethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
SMILESCC.CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1N
InChIInChI=1S/C15H23NO6.C2H6/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;1-2/h9-10H,4-8,16H2,1-3H3;1-2H3
InChIKeyZNNHRAIQMJVVSI-UHFFFAOYSA-N
XLogP2.52
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate
CID 23033019
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
CID 11079114
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate
CID 11186961
ethyl 2-(carbamothioylamino)-4,5-bis(2-methoxyethoxy)benzoate
CID 169356168
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate
CID 11748809
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate
CID 101102266

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate?
The IUPAC name of ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate (CID 143274795) is ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate.
What is the SMILES notation for ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate?
The canonical SMILES for ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate is CC.CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1N.
What is the InChIKey of ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate?
The InChIKey is ZNNHRAIQMJVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6.C2H6/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;1-2/h9-10H,4-8,16H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate?
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate has a molecular weight of 343.42 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate is sourced from PubChem (CID 143274795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).