N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide

C26H50N2O10 — CID 171556625

IUPACN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide
SMILESC=CC(C)CCOCCOCCOCC(=O)NCCOCCC(=O)NCCOCCOCCOCCOC
InChIInChI=1S/C26H50N2O10/c1-4-24(2)5-9-33-15-17-37-21-22-38-23-26(30)28-8-11-32-10-6-25(29)27-7-12-34-16-18-36-20-19-35-14-13-31-3/h4,24H,1,5-23H2,2-3H3,(H,27,29)(H,28,30)
InChIKeyBTEQUHGGCPBZDP-UHFFFAOYSA-N
MW550.69 g/mol
LogP0.58
Rot. Bonds30

About N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide

N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide (PubChem CID 171556625) has the molecular formula C26H50N2O10 and a molecular weight of 550.69 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide
PubChem CID171556625
Molecular FormulaC26H50N2O10
Molecular Weight550.69 g/mol
Exact Mass550.35
IUPAC NameN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide
SMILESC=CC(C)CCOCCOCCOCC(=O)NCCOCCC(=O)NCCOCCOCCOCCOC
InChIInChI=1S/C26H50N2O10/c1-4-24(2)5-9-33-15-17-37-21-22-38-23-26(30)28-8-11-32-10-6-25(29)27-7-12-34-16-18-36-20-19-35-14-13-31-3/h4,24H,1,5-23H2,2-3H3,(H,27,29)(H,28,30)
InChIKeyBTEQUHGGCPBZDP-UHFFFAOYSA-N
XLogP0.58
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.69
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
CID 169159646
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
5-hydroxy-4-(hydroxymethyl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 58205613
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
[4-[2-(2-methoxyethoxy)ethylamino]-4-oxo-1-phosphonobutyl]phosphonic acid
CID 59449901

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide?
The IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide (CID 171556625) is N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide is C=CC(C)CCOCCOCCOCC(=O)NCCOCCC(=O)NCCOCCOCCOCCOC.
What is the InChIKey of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide?
The InChIKey is BTEQUHGGCPBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O10/c1-4-24(2)5-9-33-15-17-37-21-22-38-23-26(30)28-8-11-32-10-6-25(29)27-7-12-34-16-18-36-20-19-35-14-13-31-3/h4,24H,1,5-23H2,2-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide?
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide has a molecular weight of 550.69 g/mol, XLogP of 0.58, 30 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide is sourced from PubChem (CID 171556625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).