N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide

C24H48N2O4 — CID 59101695

IUPACN-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCCC(CC)(CCC)NC(=O)COCCOCC(=O)NC(CC)(CCC)CCC
InChIInChI=1S/C24H48N2O4/c1-7-13-23(11-5,14-8-2)25-21(27)19-29-17-18-30-20-22(28)26-24(12-6,15-9-3)16-10-4/h7-20H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyCWCYBLZTNXSIEM-UHFFFAOYSA-N
MW428.66 g/mol
LogP4.75
Rot. Bonds19

About N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide

N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide (PubChem CID 59101695) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide
PubChem CID59101695
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC NameN-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCCC(CC)(CCC)NC(=O)COCCOCC(=O)NC(CC)(CCC)CCC
InChIInChI=1S/C24H48N2O4/c1-7-13-23(11-5,14-8-2)25-21(27)19-29-17-18-30-20-22(28)26-24(12-6,15-9-3)16-10-4/h7-20H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyCWCYBLZTNXSIEM-UHFFFAOYSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The IUPAC name of N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide (CID 59101695) is N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The canonical SMILES for N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide is CCCC(CC)(CCC)NC(=O)COCCOCC(=O)NC(CC)(CCC)CCC.
What is the InChIKey of N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The InChIKey is CWCYBLZTNXSIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-7-13-23(11-5,14-8-2)25-21(27)19-29-17-18-30-20-22(28)26-24(12-6,15-9-3)16-10-4/h7-20H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide?
N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide has a molecular weight of 428.66 g/mol, XLogP of 4.75, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide is sourced from PubChem (CID 59101695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).