4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide

C21H39N3O6 — CID 178063517

IUPAC4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(=O)COCCOCCNC(COCCOCCNC(=O)CCCN)=C1CC1
InChIInChI=1S/C21H39N3O6/c1-2-19(25)16-29-14-12-27-10-8-23-20(18-5-6-18)17-30-15-13-28-11-9-24-21(26)4-3-7-22/h23H,2-17,22H2,1H3,(H,24,26)
InChIKeyKZOINMDNEQOVQG-UHFFFAOYSA-N
MW429.56 g/mol
LogP0.52
Rot. Bonds21

About 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide

4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 178063517) has the molecular formula C21H39N3O6 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
PubChem CID178063517
Molecular FormulaC21H39N3O6
Molecular Weight429.56 g/mol
Exact Mass429.28
IUPAC Name4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(=O)COCCOCCNC(COCCOCCNC(=O)CCCN)=C1CC1
InChIInChI=1S/C21H39N3O6/c1-2-19(25)16-29-14-12-27-10-8-23-20(18-5-6-18)17-30-15-13-28-11-9-24-21(26)4-3-7-22/h23H,2-17,22H2,1H3,(H,24,26)
InChIKeyKZOINMDNEQOVQG-UHFFFAOYSA-N
XLogP0.52
TPSA121.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide with MolForge

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Related Compounds

16-amino-N-[2-[2-[2-cyclobutylidene-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]hexadecanamide;ethane
CID 145391053
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
CID 157417113
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide (CID 178063517) is 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide is CCC(=O)COCCOCCNC(COCCOCCNC(=O)CCCN)=C1CC1.
What is the InChIKey of 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is KZOINMDNEQOVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O6/c1-2-19(25)16-29-14-12-27-10-8-23-20(18-5-6-18)17-30-15-13-28-11-9-24-21(26)4-3-7-22/h23H,2-17,22H2,1H3,(H,24,26).
What are the key properties of 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 429.56 g/mol, XLogP of 0.52, 21 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[2-cyclopropylidene-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 178063517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).