N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide

C130H260N6O9 — CID 163599018

IUPACN-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide
SMILESCCCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCCCC.CCCCCCCCN(CCC(C)CCCC(C)(C)C)C(=O)COCC(=O)N(CCCCCCCC)CCC(C)CCCC(C)(C)C.CCCCCCCCN(CCCC(CCCC)CCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCC(CCCC)CCCCCC
InChIInChI=1S/C48H96N2O3.C42H84N2O3.C40H80N2O3/c1-7-13-19-23-25-29-39-49(41-31-37-45(33-17-11-5)35-27-21-15-9-3)47(51)43-53-44-48(52)50(40-30-26-24-20-14-8-2)42-32-38-46(34-18-12-6)36-28-22-16-10-4;1-11-13-15-17-19-21-31-43(33-27-37(3)25-23-29-41(5,6)7)39(45)35-47-36-40(46)44(32-22-20-18-16-14-12-2)34-28-38(4)26-24-30-42(8,9)10;1-5-9-13-17-21-23-27-31-35-41(33-29-25-19-15-11-7-3)39(43)37-45-38-40(44)42(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h45-46H,7-44H2,1-6H3;37-38H,11-36H2,1-10H3;5-38H2,1-4H3
InChIKeyGVZQHAADEFLBPL-UHFFFAOYSA-N
MW2051.54 g/mol
LogP38.02
Rot. Bonds108

About N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide

N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide (PubChem CID 163599018) has the molecular formula C130H260N6O9 and a molecular weight of 2051.54 g/mol. Its IUPAC name is N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide.

Molecular Properties

Compound NameN-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide
PubChem CID163599018
Molecular FormulaC130H260N6O9
Molecular Weight2051.54 g/mol
Exact Mass2050.01
IUPAC NameN-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide
SMILESCCCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCCCC.CCCCCCCCN(CCC(C)CCCC(C)(C)C)C(=O)COCC(=O)N(CCCCCCCC)CCC(C)CCCC(C)(C)C.CCCCCCCCN(CCCC(CCCC)CCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCC(CCCC)CCCCCC
InChIInChI=1S/C48H96N2O3.C42H84N2O3.C40H80N2O3/c1-7-13-19-23-25-29-39-49(41-31-37-45(33-17-11-5)35-27-21-15-9-3)47(51)43-53-44-48(52)50(40-30-26-24-20-14-8-2)42-32-38-46(34-18-12-6)36-28-22-16-10-4;1-11-13-15-17-19-21-31-43(33-27-37(3)25-23-29-41(5,6)7)39(45)35-47-36-40(46)44(32-22-20-18-16-14-12-2)34-28-38(4)26-24-30-42(8,9)10;1-5-9-13-17-21-23-27-31-35-41(33-29-25-19-15-11-7-3)39(43)37-45-38-40(44)42(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h45-46H,7-44H2,1-6H3;37-38H,11-36H2,1-10H3;5-38H2,1-4H3
InChIKeyGVZQHAADEFLBPL-UHFFFAOYSA-N
XLogP38.02
TPSA149.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds108
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002051.54
LogP ≤ 538.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide?
The IUPAC name of N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide (CID 163599018) is N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide.
What is the SMILES notation for N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide?
The canonical SMILES for N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide is CCCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCCCC.CCCCCCCCN(CCC(C)CCCC(C)(C)C)C(=O)COCC(=O)N(CCCCCCCC)CCC(C)CCCC(C)(C)C.CCCCCCCCN(CCCC(CCCC)CCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCC(CCCC)CCCCCC.
What is the InChIKey of N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide?
The InChIKey is GVZQHAADEFLBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H96N2O3.C42H84N2O3.C40H80N2O3/c1-7-13-19-23-25-29-39-49(41-31-37-45(33-17-11-5)35-27-21-15-9-3)47(51)43-53-44-48(52)50(40-30-26-24-20-14-8-2)42-32-38-46(34-18-12-6)36-28-22-16-10-4;1-11-13-15-17-19-21-31-43(33-27-37(3)25-23-29-41(5,6)7)39(45)35-47-36-40(46)44(32-22-20-18-16-14-12-2)34-28-38(4)26-24-30-42(8,9)10;1-5-9-13-17-21-23-27-31-35-41(33-29-25-19-15-11-7-3)39(43)37-45-38-40(44)42(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h45-46H,7-44H2,1-6H3;37-38H,11-36H2,1-10H3;5-38H2,1-4H3.
What are the key properties of N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide?
N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide has a molecular weight of 2051.54 g/mol, XLogP of 38.02, 108 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyldecyl)-2-[2-[4-butyldecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-decyl-2-[2-[decyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide;N-octyl-2-[2-[octyl(3,7,7-trimethyloctyl)amino]-2-oxoethoxy]-N-(3,7,7-trimethyloctyl)acetamide is sourced from PubChem (CID 163599018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).