2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide

C22H37NO9 — CID 162717798

IUPAC2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1CCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C22H37NO9/c1-26-21-4-2-3-20(22(23)25)19(21)5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-24/h2-4,24H,5-18H2,1H3,(H2,23,25)
InChIKeyDVRVGWYSDHXDTE-UHFFFAOYSA-N
MW459.54 g/mol
LogP0.43
Rot. Bonds22

About 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide (PubChem CID 162717798) has the molecular formula C22H37NO9 and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
PubChem CID162717798
Molecular FormulaC22H37NO9
Molecular Weight459.54 g/mol
Exact Mass459.25
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1CCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C22H37NO9/c1-26-21-4-2-3-20(22(23)25)19(21)5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-24/h2-4,24H,5-18H2,1H3,(H2,23,25)
InChIKeyDVRVGWYSDHXDTE-UHFFFAOYSA-N
XLogP0.43
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide
CID 141361888
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
CID 87659895
2,3-bis(2-methoxyethyl)benzamide
CID 140931342
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
2,3-dimethoxybenzamide;hydrate
CID 141005510
2-ethyl-3-methoxybenzenecarbothioamide
CID 91875220
3-(2-hydroxyethoxy)-2-iodobenzamide
CID 58242141
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
CID 140659605
CID 140659605
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide (CID 162717798) is 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide is COc1cccc(C(N)=O)c1CCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?
The InChIKey is DVRVGWYSDHXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO9/c1-26-21-4-2-3-20(22(23)25)19(21)5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-24/h2-4,24H,5-18H2,1H3,(H2,23,25).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide has a molecular weight of 459.54 g/mol, XLogP of 0.43, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 162717798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).