N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide

C65H98N6O8 — CID 90141943

IUPACN-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide
SMILESCCCNC(=O)COc1c(CC)cc(CCC)cc1Cc1cc(CC(C)C)cc(Cc2cc(CCC)cc(Cc3cc(CC(C)C)ccc3OCC(=O)NCCN(C)C)c2OCC(=O)NCCC)c1OCC(=O)NCCN(C)C
InChIInChI=1S/C65H98N6O8/c1-14-19-47-31-51(18-5)63(77-42-60(73)66-23-16-3)54(33-47)39-56-36-50(30-46(8)9)37-57(65(56)79-44-62(75)69-26-28-71(12)13)40-55-35-48(20-15-2)34-53(64(55)78-43-61(74)67-24-17-4)38-52-32-49(29-45(6)7)21-22-58(52)76-41-59(72)68-25-27-70(10)11/h21-22,31-37,45-46H,14-20,23-30,38-44H2,1-13H3,(H,66,73)(H,67,74)(H,68,72)(H,69,75)
InChIKeyBASKHPKHOXXIBR-UHFFFAOYSA-N
MW1091.53 g/mol
LogP9.25
Rot. Bonds37

About N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide

N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide (PubChem CID 90141943) has the molecular formula C65H98N6O8 and a molecular weight of 1091.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide
PubChem CID90141943
Molecular FormulaC65H98N6O8
Molecular Weight1091.53 g/mol
Exact Mass1090.74
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide
SMILESCCCNC(=O)COc1c(CC)cc(CCC)cc1Cc1cc(CC(C)C)cc(Cc2cc(CCC)cc(Cc3cc(CC(C)C)ccc3OCC(=O)NCCN(C)C)c2OCC(=O)NCCC)c1OCC(=O)NCCN(C)C
InChIInChI=1S/C65H98N6O8/c1-14-19-47-31-51(18-5)63(77-42-60(73)66-23-16-3)54(33-47)39-56-36-50(30-46(8)9)37-57(65(56)79-44-62(75)69-26-28-71(12)13)40-55-35-48(20-15-2)34-53(64(55)78-43-61(74)67-24-17-4)38-52-32-49(29-45(6)7)21-22-58(52)76-41-59(72)68-25-27-70(10)11/h21-22,31-37,45-46H,14-20,23-30,38-44H2,1-13H3,(H,66,73)(H,67,74)(H,68,72)(H,69,75)
InChIKeyBASKHPKHOXXIBR-UHFFFAOYSA-N
XLogP9.25
TPSA159.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds37
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.53
LogP ≤ 59.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
CID 59859606
N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide
CID 90141925
2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
CID 143215066
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
CID 59859568
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-propylacetamide
CID 63063547
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide (CID 90141943) is N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide is CCCNC(=O)COc1c(CC)cc(CCC)cc1Cc1cc(CC(C)C)cc(Cc2cc(CCC)cc(Cc3cc(CC(C)C)ccc3OCC(=O)NCCN(C)C)c2OCC(=O)NCCC)c1OCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide?
The InChIKey is BASKHPKHOXXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H98N6O8/c1-14-19-47-31-51(18-5)63(77-42-60(73)66-23-16-3)54(33-47)39-56-36-50(30-46(8)9)37-57(65(56)79-44-62(75)69-26-28-71(12)13)40-55-35-48(20-15-2)34-53(64(55)78-43-61(74)67-24-17-4)38-52-32-49(29-45(6)7)21-22-58(52)76-41-59(72)68-25-27-70(10)11/h21-22,31-37,45-46H,14-20,23-30,38-44H2,1-13H3,(H,66,73)(H,67,74)(H,68,72)(H,69,75).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide has a molecular weight of 1091.53 g/mol, XLogP of 9.25, 37 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide is sourced from PubChem (CID 90141943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).