2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide

C36H72N2O3 — CID 20752250

IUPAC2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COCC(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3
InChIKeyMJJHOBMBUANRML-UHFFFAOYSA-N
MW580.98 g/mol
LogP9.53
Rot. Bonds28

About 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide

2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide (PubChem CID 20752250) has the molecular formula C36H72N2O3 and a molecular weight of 580.98 g/mol. Its IUPAC name is 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide
PubChem CID20752250
Molecular FormulaC36H72N2O3
Molecular Weight580.98 g/mol
Exact Mass580.55
IUPAC Name2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COCC(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3
InChIKeyMJJHOBMBUANRML-UHFFFAOYSA-N
XLogP9.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.98
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide?
The IUPAC name of 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide (CID 20752250) is 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide?
The canonical SMILES for 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)COCC(=O)N(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide?
The InChIKey is MJJHOBMBUANRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3.
What are the key properties of 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide?
2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide has a molecular weight of 580.98 g/mol, XLogP of 9.53, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide is sourced from PubChem (CID 20752250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).