N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C32H58N2O10 — CID 134401994

IUPACN-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESC=C1C=CC(=O)N1CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(C)(C)C
InChIInChI=1S/C32H58N2O10/c1-29-7-8-31(36)34(29)12-14-38-16-18-40-20-22-42-24-26-44-28-27-43-25-23-41-21-19-39-17-15-37-13-9-30(35)33-11-6-5-10-32(2,3)4/h7-8H,1,5-6,9-28H2,2-4H3,(H,33,35)
InChIKeyLMBDYBHHDPJMID-UHFFFAOYSA-N
MW630.82 g/mol
LogP2.75
Rot. Bonds31

About N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 134401994) has the molecular formula C32H58N2O10 and a molecular weight of 630.82 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID134401994
Molecular FormulaC32H58N2O10
Molecular Weight630.82 g/mol
Exact Mass630.41
IUPAC NameN-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESC=C1C=CC(=O)N1CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(C)(C)C
InChIInChI=1S/C32H58N2O10/c1-29-7-8-31(36)34(29)12-14-38-16-18-40-20-22-42-24-26-44-28-27-43-25-23-41-21-19-39-17-15-37-13-9-30(35)33-11-6-5-10-32(2,3)4/h7-8H,1,5-6,9-28H2,2-4H3,(H,33,35)
InChIKeyLMBDYBHHDPJMID-UHFFFAOYSA-N
XLogP2.75
TPSA123.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 134401994) is N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is C=C1C=CC(=O)N1CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(C)(C)C.
What is the InChIKey of N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is LMBDYBHHDPJMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2O10/c1-29-7-8-31(36)34(29)12-14-38-16-18-40-20-22-42-24-26-44-28-27-43-25-23-41-21-19-39-17-15-37-13-9-30(35)33-11-6-5-10-32(2,3)4/h7-8H,1,5-6,9-28H2,2-4H3,(H,33,35).
What are the key properties of N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 630.82 g/mol, XLogP of 2.75, 31 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 134401994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).