2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione

C212H336N30O60 — CID 89027526

IUPAC2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C212H336N30O60/c1-3-154(184(244)214-6-66-274-67-7-214)125-156(186(246)216-10-70-276-71-11-216)127-158(188(248)218-14-74-278-75-15-218)129-160(190(250)220-18-78-280-79-19-220)131-162(192(252)222-22-82-282-83-23-222)133-164(194(254)224-26-86-284-87-27-224)135-166(196(256)226-30-90-286-91-31-226)137-168(198(258)228-34-94-288-95-35-228)139-170(200(260)230-38-98-290-99-39-230)141-172(202(262)232-42-102-292-103-43-232)143-174(204(264)234-46-106-294-107-47-234)145-176(206(266)236-50-110-296-111-51-236)147-178(208(268)238-54-114-298-115-55-238)149-180(210(270)240-58-118-300-119-59-240)151-182(212(272)242-62-122-302-123-63-242)152-181(211(271)241-60-120-301-121-61-241)150-179(209(269)239-56-116-299-117-57-239)148-177(207(267)237-52-112-297-113-53-237)146-175(205(265)235-48-108-295-109-49-235)144-173(203(263)233-44-104-293-105-45-233)142-171(201(261)231-40-100-291-101-41-231)140-169(199(259)229-36-96-289-97-37-229)138-167(197(257)227-32-92-287-93-33-227)136-165(195(255)225-28-88-285-89-29-225)134-163(193(253)223-24-84-283-85-25-223)132-161(191(251)221-20-80-281-81-21-221)130-159(189(249)219-16-76-279-77-17-219)128-157(187(247)217-12-72-277-73-13-217)126-155(185(245)215-8-68-275-69-9-215)124-153(2)183(243)213-4-64-273-65-5-213/h153-182H,3-152H2,1-2H3
InChIKeyHXUMUZSSMXHKNS-UHFFFAOYSA-N
MW4265.17 g/mol
LogP-3.02
Rot. Bonds89

About 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione

2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione (PubChem CID 89027526) has the molecular formula C212H336N30O60 and a molecular weight of 4265.17 g/mol. Its IUPAC name is 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione.

Molecular Properties

Compound Name2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione
PubChem CID89027526
Molecular FormulaC212H336N30O60
Molecular Weight4265.17 g/mol
Exact Mass4262.42
IUPAC Name2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C212H336N30O60/c1-3-154(184(244)214-6-66-274-67-7-214)125-156(186(246)216-10-70-276-71-11-216)127-158(188(248)218-14-74-278-75-15-218)129-160(190(250)220-18-78-280-79-19-220)131-162(192(252)222-22-82-282-83-23-222)133-164(194(254)224-26-86-284-87-27-224)135-166(196(256)226-30-90-286-91-31-226)137-168(198(258)228-34-94-288-95-35-228)139-170(200(260)230-38-98-290-99-39-230)141-172(202(262)232-42-102-292-103-43-232)143-174(204(264)234-46-106-294-107-47-234)145-176(206(266)236-50-110-296-111-51-236)147-178(208(268)238-54-114-298-115-55-238)149-180(210(270)240-58-118-300-119-59-240)151-182(212(272)242-62-122-302-123-63-242)152-181(211(271)241-60-120-301-121-61-241)150-179(209(269)239-56-116-299-117-57-239)148-177(207(267)237-52-112-297-113-53-237)146-175(205(265)235-48-108-295-109-49-235)144-173(203(263)233-44-104-293-105-45-233)142-171(201(261)231-40-100-291-101-41-231)140-169(199(259)229-36-96-289-97-37-229)138-167(197(257)227-32-92-287-93-33-227)136-165(195(255)225-28-88-285-89-29-225)134-163(193(253)223-24-84-283-85-25-223)132-161(191(251)221-20-80-281-81-21-221)130-159(189(249)219-16-76-279-77-17-219)128-157(187(247)217-12-72-277-73-13-217)126-155(185(245)215-8-68-275-69-9-215)124-153(2)183(243)213-4-64-273-65-5-213/h153-182H,3-152H2,1-2H3
InChIKeyHXUMUZSSMXHKNS-UHFFFAOYSA-N
XLogP-3.02
TPSA886.20 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds89
Heavy Atoms302
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004265.17
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Analyze 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione with MolForge

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Related Compounds

2,2,4,4,5,5,8,8,9,9-decafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide;1,3,3,4,4,5,5-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide;4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide;2,2,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2,2,4,4,5,5,7,7-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide;2,2,3,3-tetrafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide;4,4,4-trifluoro-N,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide;3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
CID 159397679
2-Ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione
CID 89027525
1-(2,6-Dimethylmorpholin-4-yl)tetradecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-(2,6-dimethylmorpholin-4-yl)undecan-1-one;1-morpholin-4-ylnonan-1-one;1-morpholin-4-yloctadecan-1-one
CID 157306330
Methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;3-methyl-1-morpholin-4-ylbutan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;2-methyl-8-morpholin-4-yloctan-4-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);tris(6-methyl-1-piperidin-1-ylheptan-4-one);bis(5-methyl-1-piperidin-1-ylhexan-3-one);bis(2-methyl-8-piperidin-1-yloctan-4-one)
CID 160639204
1-(2,6-Dimethylmorpholin-4-yl)dodecan-1-one;1-(2,6-dimethylmorpholin-4-yl)hexadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)octadecan-1-one;1-(2,6-dimethylmorpholin-4-yl)tridecan-1-one;1-morpholin-4-yldodecan-1-one
CID 160847760

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione?
The IUPAC name of 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione (CID 89027526) is 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione.
What is the SMILES notation for 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione?
The canonical SMILES for 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione is CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione?
The InChIKey is HXUMUZSSMXHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C212H336N30O60/c1-3-154(184(244)214-6-66-274-67-7-214)125-156(186(246)216-10-70-276-71-11-216)127-158(188(248)218-14-74-278-75-15-218)129-160(190(250)220-18-78-280-79-19-220)131-162(192(252)222-22-82-282-83-23-222)133-164(194(254)224-26-86-284-87-27-224)135-166(196(256)226-30-90-286-91-31-226)137-168(198(258)228-34-94-288-95-35-228)139-170(200(260)230-38-98-290-99-39-230)141-172(202(262)232-42-102-292-103-43-232)143-174(204(264)234-46-106-294-107-47-234)145-176(206(266)236-50-110-296-111-51-236)147-178(208(268)238-54-114-298-115-55-238)149-180(210(270)240-58-118-300-119-59-240)151-182(212(272)242-62-122-302-123-63-242)152-181(211(271)241-60-120-301-121-61-241)150-179(209(269)239-56-116-299-117-57-239)148-177(207(267)237-52-112-297-113-53-237)146-175(205(265)235-48-108-295-109-49-235)144-173(203(263)233-44-104-293-105-45-233)142-171(201(261)231-40-100-291-101-41-231)140-169(199(259)229-36-96-289-97-37-229)138-167(197(257)227-32-92-287-93-33-227)136-165(195(255)225-28-88-285-89-29-225)134-163(193(253)223-24-84-283-85-25-223)132-161(191(251)221-20-80-281-81-21-221)130-159(189(249)219-16-76-279-77-17-219)128-157(187(247)217-12-72-277-73-13-217)126-155(185(245)215-8-68-275-69-9-215)124-153(2)183(243)213-4-64-273-65-5-213/h153-182H,3-152H2,1-2H3.
What are the key properties of 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione?
2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione has a molecular weight of 4265.17 g/mol, XLogP of -3.02, 89 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-60-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-octacosakis(morpholine-4-carbonyl)-1,61-dimorpholin-4-ylhenhexacontane-1,61-dione is sourced from PubChem (CID 89027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).