N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine

C75H140N6O6 — CID 167703709

IUPACN'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine
SMILESC.CC.CC.CC(C)CCN(CCCC(=O)CCCC(=O)CCc1ccccc1)CCNC(=O)CCCC(=O)NCc1ccccc1.CCCCC(=O)CCCN(CCNC(=O)CCCC(C)C)CCC(C)C.CCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C35H51N3O4.C22H44N2O2.C13H29N.2C2H6.CH4/c1-29(2)23-26-38(25-11-18-32(39)16-9-17-33(40)22-21-30-12-5-3-6-13-30)27-24-36-34(41)19-10-20-35(42)37-28-31-14-7-4-8-15-31;1-6-7-11-21(25)12-9-16-24(17-14-20(4)5)18-15-23-22(26)13-8-10-19(2)3;1-6-9-14(10-7-12(2)3)11-8-13(4)5;2*1-2;/h3-8,12-15,29H,9-11,16-28H2,1-2H3,(H,36,41)(H,37,42);19-20H,6-18H2,1-5H3,(H,23,26);12-13H,6-11H2,1-5H3;2*1-2H3;1H4
InChIKeyYTZVIPZFDROMFP-UHFFFAOYSA-N
MW1221.98 g/mol
LogP16.95
Rot. Bonds48

About N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine

N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine (PubChem CID 167703709) has the molecular formula C75H140N6O6 and a molecular weight of 1221.98 g/mol. Its IUPAC name is N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine.

Molecular Properties

Compound NameN'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine
PubChem CID167703709
Molecular FormulaC75H140N6O6
Molecular Weight1221.98 g/mol
Exact Mass1221.08
IUPAC NameN'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine
SMILESC.CC.CC.CC(C)CCN(CCCC(=O)CCCC(=O)CCc1ccccc1)CCNC(=O)CCCC(=O)NCc1ccccc1.CCCCC(=O)CCCN(CCNC(=O)CCCC(C)C)CCC(C)C.CCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C35H51N3O4.C22H44N2O2.C13H29N.2C2H6.CH4/c1-29(2)23-26-38(25-11-18-32(39)16-9-17-33(40)22-21-30-12-5-3-6-13-30)27-24-36-34(41)19-10-20-35(42)37-28-31-14-7-4-8-15-31;1-6-7-11-21(25)12-9-16-24(17-14-20(4)5)18-15-23-22(26)13-8-10-19(2)3;1-6-9-14(10-7-12(2)3)11-8-13(4)5;2*1-2;/h3-8,12-15,29H,9-11,16-28H2,1-2H3,(H,36,41)(H,37,42);19-20H,6-18H2,1-5H3,(H,23,26);12-13H,6-11H2,1-5H3;2*1-2H3;1H4
InChIKeyYTZVIPZFDROMFP-UHFFFAOYSA-N
XLogP16.95
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds48
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.98
LogP ≤ 516.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine?
The IUPAC name of N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine (CID 167703709) is N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine.
What is the SMILES notation for N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine?
The canonical SMILES for N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine is C.CC.CC.CC(C)CCN(CCCC(=O)CCCC(=O)CCc1ccccc1)CCNC(=O)CCCC(=O)NCc1ccccc1.CCCCC(=O)CCCN(CCNC(=O)CCCC(C)C)CCC(C)C.CCCN(CCC(C)C)CCC(C)C.
What is the InChIKey of N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine?
The InChIKey is YTZVIPZFDROMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O4.C22H44N2O2.C13H29N.2C2H6.CH4/c1-29(2)23-26-38(25-11-18-32(39)16-9-17-33(40)22-21-30-12-5-3-6-13-30)27-24-36-34(41)19-10-20-35(42)37-28-31-14-7-4-8-15-31;1-6-7-11-21(25)12-9-16-24(17-14-20(4)5)18-15-23-22(26)13-8-10-19(2)3;1-6-9-14(10-7-12(2)3)11-8-13(4)5;2*1-2;/h3-8,12-15,29H,9-11,16-28H2,1-2H3,(H,36,41)(H,37,42);19-20H,6-18H2,1-5H3,(H,23,26);12-13H,6-11H2,1-5H3;2*1-2H3;1H4.
What are the key properties of N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine?
N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine has a molecular weight of 1221.98 g/mol, XLogP of 16.95, 48 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-[(4,8-dioxo-10-phenyldecyl)-(3-methylbutyl)amino]ethyl]pentanediamide;ethane;methane;5-methyl-N-[2-[3-methylbutyl(4-oxooctyl)amino]ethyl]hexanamide;3-methyl-N-(3-methylbutyl)-N-propylbutan-1-amine is sourced from PubChem (CID 167703709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).