N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide

C36H67N3O10 — CID 178112788

IUPACN-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCOCCC#CCCN(CCOCCOCCOCCNC(=O)CCC)C(=O)CCOCCOCCC(C)C
InChIInChI=1S/C36H67N3O10/c1-5-11-34(40)37-15-22-46-28-25-43-19-10-8-7-9-17-39(36(42)14-21-45-27-26-44-20-13-33(3)4)18-24-48-30-32-49-31-29-47-23-16-38-35(41)12-6-2/h33H,5-6,9-32H2,1-4H3,(H,37,40)(H,38,41)
InChIKeyKSYVSIPVLQURSZ-UHFFFAOYSA-N
MW701.94 g/mol
LogP2.98
Rot. Bonds35

About N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide

N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide (PubChem CID 178112788) has the molecular formula C36H67N3O10 and a molecular weight of 701.94 g/mol. Its IUPAC name is N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide
PubChem CID178112788
Molecular FormulaC36H67N3O10
Molecular Weight701.94 g/mol
Exact Mass701.48
IUPAC NameN-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCOCCC#CCCN(CCOCCOCCOCCNC(=O)CCC)C(=O)CCOCCOCCC(C)C
InChIInChI=1S/C36H67N3O10/c1-5-11-34(40)37-15-22-46-28-25-43-19-10-8-7-9-17-39(36(42)14-21-45-27-26-44-20-13-33(3)4)18-24-48-30-32-49-31-29-47-23-16-38-35(41)12-6-2/h33H,5-6,9-32H2,1-4H3,(H,37,40)(H,38,41)
InChIKeyKSYVSIPVLQURSZ-UHFFFAOYSA-N
XLogP2.98
TPSA143.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500701.94
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide with MolForge

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Related Compounds

ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-(3-methylbutyl)-N',N'-bis(2-tetradecoxyethyl)butanediamide
CID 176573211
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
CID 153336214
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide?
The IUPAC name of N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide (CID 178112788) is N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide is CCCC(=O)NCCOCCOCCC#CCCN(CCOCCOCCOCCNC(=O)CCC)C(=O)CCOCCOCCC(C)C.
What is the InChIKey of N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide?
The InChIKey is KSYVSIPVLQURSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67N3O10/c1-5-11-34(40)37-15-22-46-28-25-43-19-10-8-7-9-17-39(36(42)14-21-45-27-26-44-20-13-33(3)4)18-24-48-30-32-49-31-29-47-23-16-38-35(41)12-6-2/h33H,5-6,9-32H2,1-4H3,(H,37,40)(H,38,41).
What are the key properties of N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide?
N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide has a molecular weight of 701.94 g/mol, XLogP of 2.98, 35 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[6-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethyl-[3-[2-(3-methylbutoxy)ethoxy]propanoyl]amino]hex-3-ynoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 178112788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).