4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide

C17H34N2O8 — CID 177324928

IUPAC4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
SMILESNC(C=O)CCC(=O)NCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C17H34N2O8/c18-16(15-21)1-2-17(22)19-3-5-23-7-9-25-11-13-27-14-12-26-10-8-24-6-4-20/h15-16,20H,1-14,18H2,(H,19,22)
InChIKeyPQJAECSHCBMBEJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP-1.52
Rot. Bonds21

About 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide

4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide (PubChem CID 177324928) has the molecular formula C17H34N2O8 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
PubChem CID177324928
Molecular FormulaC17H34N2O8
Molecular Weight394.47 g/mol
Exact Mass394.23
IUPAC Name4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
SMILESNC(C=O)CCC(=O)NCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C17H34N2O8/c18-16(15-21)1-2-17(22)19-3-5-23-7-9-25-11-13-27-14-12-26-10-8-24-6-4-20/h15-16,20H,1-14,18H2,(H,19,22)
InChIKeyPQJAECSHCBMBEJ-UHFFFAOYSA-N
XLogP-1.52
TPSA138.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-1,5-dioxopentan-2-yl]-5-oxopentanamide
CID 166729277
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
18-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
CID 123831467
3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163953950
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide?
The IUPAC name of 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide (CID 177324928) is 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide.
What is the SMILES notation for 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide?
The canonical SMILES for 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide is NC(C=O)CCC(=O)NCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide?
The InChIKey is PQJAECSHCBMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O8/c18-16(15-21)1-2-17(22)19-3-5-23-7-9-25-11-13-27-14-12-26-10-8-24-6-4-20/h15-16,20H,1-14,18H2,(H,19,22).
What are the key properties of 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide?
4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide has a molecular weight of 394.47 g/mol, XLogP of -1.52, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide is sourced from PubChem (CID 177324928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).