N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

C20H37NO7 — CID 91360789

IUPACN-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CCOCCOCCOC1C(OC)=CC=CC1OC
InChIInChI=1S/C20H37NO7/c1-22-11-8-21(9-12-23-2)10-13-26-14-15-27-16-17-28-20-18(24-3)6-5-7-19(20)25-4/h5-7,18,20H,8-17H2,1-4H3
InChIKeyFGRGPBQBFZXBNP-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.11
Rot. Bonds18

About N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 91360789) has the molecular formula C20H37NO7 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID91360789
Molecular FormulaC20H37NO7
Molecular Weight403.52 g/mol
Exact Mass403.26
IUPAC NameN-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CCOCCOCCOC1C(OC)=CC=CC1OC
InChIInChI=1S/C20H37NO7/c1-22-11-8-21(9-12-23-2)10-13-26-14-15-27-16-17-28-20-18(24-3)6-5-7-19(20)25-4/h5-7,18,20H,8-17H2,1-4H3
InChIKeyFGRGPBQBFZXBNP-UHFFFAOYSA-N
XLogP1.11
TPSA67.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 91360789) is N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)CCOCCOCCOC1C(OC)=CC=CC1OC.
What is the InChIKey of N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is FGRGPBQBFZXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO7/c1-22-11-8-21(9-12-23-2)10-13-26-14-15-27-16-17-28-20-18(24-3)6-5-7-19(20)25-4/h5-7,18,20H,8-17H2,1-4H3.
What are the key properties of N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 403.52 g/mol, XLogP of 1.11, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 91360789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).