1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide

C152H256N50O50 — CID 89449425

IUPAC1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
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(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O
InChIInChI=1S/C152H256N50O50/c1-3-54(104(154)204)5-56(106(156)206)7-58(108(158)208)9-60(110(160)210)11-62(112(162)212)13-64(114(164)214)15-66(116(166)216)17-68(118(168)218)19-70(120(170)220)21-72(122(172)222)23-74(124(174)224)25-76(126(176)226)27-78(128(178)228)29-80(130(180)230)31-82(132(182)232)33-84(134(184)234)35-86(136(186)236)37-88(138(188)238)39-90(140(190)240)41-92(142(192)242)43-94(144(194)244)45-96(146(196)246)47-98(148(198)248)49-100(150(200)250)51-102(152(202)252)52-101(151(201)251)50-99(149(199)249)48-97(147(197)247)46-95(145(195)245)44-93(143(193)243)42-91(141(191)241)40-89(139(189)239)38-87(137(187)237)36-85(135(185)235)34-83(133(183)233)32-81(131(181)231)30-79(129(179)229)28-77(127(177)227)26-75(125(175)225)24-73(123(173)223)22-71(121(171)221)20-69(119(169)219)18-67(117(167)217)16-65(115(165)215)14-63(113(163)213)12-61(111(161)211)10-59(109(159)209)8-57(107(157)207)6-55(105(155)205)4-53(2)103(153)203/h53-102H,3-52H2,1-2H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,212)(H2,163,213)(H2,164,214)(H2,165,215)(H2,166,216)(H2,167,217)(H2,168,218)(H2,169,219)(H2,170,220)(H2,171,221)(H2,172,222)(H2,173,223)(H2,174,224)(H2,175,225)(H2,176,226)(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,230)(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,240)(H2,191,241)(H2,192,242)(H2,193,243)(H2,194,244)(H2,195,245)(H2,196,246)(H2,197,247)(H2,198,248)(H2,199,249)(H2,200,250)(H2,201,251)(H2,202,252)
InChIKeyOQZBSVBDHXXHDY-UHFFFAOYSA-N
MW3584.02 g/mol
LogP-24.39
Rot. Bonds149

About 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide

1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide (PubChem CID 89449425) has the molecular formula C152H256N50O50 and a molecular weight of 3584.02 g/mol. Its IUPAC name is 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide.

Molecular Properties

Compound Name1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
PubChem CID89449425
Molecular FormulaC152H256N50O50
Molecular Weight3584.02 g/mol
Exact Mass3581.90
IUPAC Name1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
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(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O
InChIInChI=1S/C152H256N50O50/c1-3-54(104(154)204)5-56(106(156)206)7-58(108(158)208)9-60(110(160)210)11-62(112(162)212)13-64(114(164)214)15-66(116(166)216)17-68(118(168)218)19-70(120(170)220)21-72(122(172)222)23-74(124(174)224)25-76(126(176)226)27-78(128(178)228)29-80(130(180)230)31-82(132(182)232)33-84(134(184)234)35-86(136(186)236)37-88(138(188)238)39-90(140(190)240)41-92(142(192)242)43-94(144(194)244)45-96(146(196)246)47-98(148(198)248)49-100(150(200)250)51-102(152(202)252)52-101(151(201)251)50-99(149(199)249)48-97(147(197)247)46-95(145(195)245)44-93(143(193)243)42-91(141(191)241)40-89(139(189)239)38-87(137(187)237)36-85(135(185)235)34-83(133(183)233)32-81(131(181)231)30-79(129(179)229)28-77(127(177)227)26-75(125(175)225)24-73(123(173)223)22-71(121(171)221)20-69(119(169)219)18-67(117(167)217)16-65(115(165)215)14-63(113(163)213)12-61(111(161)211)10-59(109(159)209)8-57(107(157)207)6-55(105(155)205)4-53(2)103(153)203/h53-102H,3-52H2,1-2H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,212)(H2,163,213)(H2,164,214)(H2,165,215)(H2,166,216)(H2,167,217)(H2,168,218)(H2,169,219)(H2,170,220)(H2,171,221)(H2,172,222)(H2,173,223)(H2,174,224)(H2,175,225)(H2,176,226)(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,230)(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,240)(H2,191,241)(H2,192,242)(H2,193,243)(H2,194,244)(H2,195,245)(H2,196,246)(H2,197,247)(H2,198,248)(H2,199,249)(H2,200,250)(H2,201,251)(H2,202,252)
InChIKeyOQZBSVBDHXXHDY-UHFFFAOYSA-N
XLogP-24.39
TPSA2154.50 Ų
H-Bond Donors50
H-Bond Acceptors50
Rotatable Bonds149
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003584.02
LogP ≤ 5-24.39
H-Bond Donors ≤ 550
H-Bond Acceptors ≤ 1050

Analyze 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide with MolForge

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Related Compounds

4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
4-carbamoyl-2-methylhexanoic acid
CID 20783257
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
4-carbamoyl-6-carboxy-2-methyloctanoate
CID 176624097
(2R)-2,4-diethylhexanamide
CID 95562524
4-carbamoylhexane-2-sulfinic acid
CID 58120546
4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
methane;2-methylbutanamide
CID 158835184
(2-hydroxy-3-sulfanylpropyl) 4-carbamoyl-2-methylhexanoate
CID 88551575
2-(4-carbamoyl-2-methylhexanoyl)oxyethyl-trimethylazanium chloride
CID 91142692
2-ethyl-6,6,6-trifluoro-4-methylhexanamide
CID 20705384

Frequently Asked Questions

What is the IUPAC name of 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide?
The IUPAC name of 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide (CID 89449425) is 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide.
What is the SMILES notation for 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide?
The canonical SMILES for 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide 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(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O)C(N)=O.
What is the InChIKey of 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide?
The InChIKey is OQZBSVBDHXXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H256N50O50/c1-3-54(104(154)204)5-56(106(156)206)7-58(108(158)208)9-60(110(160)210)11-62(112(162)212)13-64(114(164)214)15-66(116(166)216)17-68(118(168)218)19-70(120(170)220)21-72(122(172)222)23-74(124(174)224)25-76(126(176)226)27-78(128(178)228)29-80(130(180)230)31-82(132(182)232)33-84(134(184)234)35-86(136(186)236)37-88(138(188)238)39-90(140(190)240)41-92(142(192)242)43-94(144(194)244)45-96(146(196)246)47-98(148(198)248)49-100(150(200)250)51-102(152(202)252)52-101(151(201)251)50-99(149(199)249)48-97(147(197)247)46-95(145(195)245)44-93(143(193)243)42-91(141(191)241)40-89(139(189)239)38-87(137(187)237)36-85(135(185)235)34-83(133(183)233)32-81(131(181)231)30-79(129(179)229)28-77(127(177)227)26-75(125(175)225)24-73(123(173)223)22-71(121(171)221)20-69(119(169)219)18-67(117(167)217)16-65(115(165)215)14-63(113(163)213)12-61(111(161)211)10-59(109(159)209)8-57(107(157)207)6-55(105(155)205)4-53(2)103(153)203/h53-102H,3-52H2,1-2H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,212)(H2,163,213)(H2,164,214)(H2,165,215)(H2,166,216)(H2,167,217)(H2,168,218)(H2,169,219)(H2,170,220)(H2,171,221)(H2,172,222)(H2,173,223)(H2,174,224)(H2,175,225)(H2,176,226)(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,230)(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,240)(H2,191,241)(H2,192,242)(H2,193,243)(H2,194,244)(H2,195,245)(H2,196,246)(H2,197,247)(H2,198,248)(H2,199,249)(H2,200,250)(H2,201,251)(H2,202,252).
What are the key properties of 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide?
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide has a molecular weight of 3584.02 g/mol, XLogP of -24.39, 149 rotatable bonds, 50 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide is sourced from PubChem (CID 89449425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).