2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate

C36H72N2O4 — CID 171607237

IUPAC2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCCNC(=O)OCCOC
InChIInChI=1S/C36H72N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-38(35(39)29-28-30-37-36(40)42-34-33-41-3)32-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-34H2,1-3H3,(H,37,40)
InChIKeyBIKPOKKDTGOPHN-UHFFFAOYSA-N
MW596.98 g/mol
LogP10.37
Rot. Bonds33

About 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate

2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate (PubChem CID 171607237) has the molecular formula C36H72N2O4 and a molecular weight of 596.98 g/mol. Its IUPAC name is 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate
PubChem CID171607237
Molecular FormulaC36H72N2O4
Molecular Weight596.98 g/mol
Exact Mass596.55
IUPAC Name2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCCNC(=O)OCCOC
InChIInChI=1S/C36H72N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-38(35(39)29-28-30-37-36(40)42-34-33-41-3)32-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-34H2,1-3H3,(H,37,40)
InChIKeyBIKPOKKDTGOPHN-UHFFFAOYSA-N
XLogP10.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.98
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate (CID 171607237) is 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCCNC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate?
The InChIKey is BIKPOKKDTGOPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-38(35(39)29-28-30-37-36(40)42-34-33-41-3)32-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-34H2,1-3H3,(H,37,40).
What are the key properties of 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate?
2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate has a molecular weight of 596.98 g/mol, XLogP of 10.37, 33 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 171607237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).