tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate

C100H135N7O19P2Si2 — CID 158301486

IUPACtert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESC=CCOP(=O)(OCCNC(=O)OC(C)(C)C)OCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CCOP(OCCNC(=O)OC(C)(C)C)N(C(C)C)C(C)C.CC(C)(C)[Si](OCCCNC(=O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C47H60N3O10PSi.C37H42N2O5Si.C16H33N2O4P/c1-8-30-56-61(54,57-32-29-49-44(52)60-46(2,3)4)58-34-42(50-45(53)55-33-41-39-26-17-15-24-37(39)38-25-16-18-27-40(38)41)43(51)48-28-19-31-59-62(47(5,6)7,35-20-11-9-12-21-35)36-22-13-10-14-23-36;1-37(2,3)45(27-15-6-4-7-16-27,28-17-8-5-9-18-28)44-24-14-23-38-35(41)34(25-40)39-36(42)43-26-33-31-21-12-10-19-29(31)30-20-11-13-22-32(30)33;1-9-11-20-23(18(13(2)3)14(4)5)21-12-10-17-15(19)22-16(6,7)8/h8-18,20-27,41-42H,1,19,28-34H2,2-7H3,(H,48,51)(H,49,52)(H,50,53);4-13,15-22,33-34,40H,14,23-26H2,1-3H3,(H,38,41)(H,39,42);9,13-14H,1,10-12H2,2-8H3,(H,17,19)
InChIKeyGMNYMTUAGAKPGK-UHFFFAOYSA-N
MW1857.33 g/mol
LogP16.89
Rot. Bonds43

About tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 158301486) has the molecular formula C100H135N7O19P2Si2 and a molecular weight of 1857.33 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID158301486
Molecular FormulaC100H135N7O19P2Si2
Molecular Weight1857.33 g/mol
Exact Mass1855.88
IUPAC Nametert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESC=CCOP(=O)(OCCNC(=O)OC(C)(C)C)OCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CCOP(OCCNC(=O)OC(C)(C)C)N(C(C)C)C(C)C.CC(C)(C)[Si](OCCCNC(=O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C47H60N3O10PSi.C37H42N2O5Si.C16H33N2O4P/c1-8-30-56-61(54,57-32-29-49-44(52)60-46(2,3)4)58-34-42(50-45(53)55-33-41-39-26-17-15-24-37(39)38-25-16-18-27-40(38)41)43(51)48-28-19-31-59-62(47(5,6)7,35-20-11-9-12-21-35)36-22-13-10-14-23-36;1-37(2,3)45(27-15-6-4-7-16-27,28-17-8-5-9-18-28)44-24-14-23-38-35(41)34(25-40)39-36(42)43-26-33-31-21-12-10-19-29(31)30-20-11-13-22-32(30)33;1-9-11-20-23(18(13(2)3)14(4)5)21-12-10-17-15(19)22-16(6,7)8/h8-18,20-27,41-42H,1,19,28-34H2,2-7H3,(H,48,51)(H,49,52)(H,50,53);4-13,15-22,33-34,40H,14,23-26H2,1-3H3,(H,38,41)(H,39,42);9,13-14H,1,10-12H2,2-8H3,(H,17,19)
InChIKeyGMNYMTUAGAKPGK-UHFFFAOYSA-N
XLogP16.89
TPSA316.67 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds43
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.33
LogP ≤ 516.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936
tert-butyl N-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-hydroxy-3-oxoheptoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate
CID 58283871
9H-fluoren-9-ylmethyl N-[(2S)-1-[3-[tert-butyl(diphenyl)silyl]oxyhexadecylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841968
9H-fluoren-9-ylmethyl N-[3-hydroxy-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 70833051
[(3R)-1-[(2R)-3-[2-aminoethoxy(prop-2-enoxy)phosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy-prop-2-enoxyphosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]decan-3-yl] dodecanoate
CID 162063538
prop-2-enyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 158278518
3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-[[(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoyl]amino]ethoxy-prop-2-enoxyphosphoryl]oxypropanoyl]amino]propyl hexadecanoate
CID 58842032
9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 129103026
(4-oxo-4-prop-2-enoxybutyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 153400898
9H-fluoren-9-ylmethyl N-[(2S)-1,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,4-dioxobutan-2-yl]carbamate
CID 71050746
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 86592271
methyl (2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-hydroxybutanoate
CID 15138216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 158301486) is tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate is C=CCOP(=O)(OCCNC(=O)OC(C)(C)C)OCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CCOP(OCCNC(=O)OC(C)(C)C)N(C(C)C)C(C)C.CC(C)(C)[Si](OCCCNC(=O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is GMNYMTUAGAKPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60N3O10PSi.C37H42N2O5Si.C16H33N2O4P/c1-8-30-56-61(54,57-32-29-49-44(52)60-46(2,3)4)58-34-42(50-45(53)55-33-41-39-26-17-15-24-37(39)38-25-16-18-27-40(38)41)43(51)48-28-19-31-59-62(47(5,6)7,35-20-11-9-12-21-35)36-22-13-10-14-23-36;1-37(2,3)45(27-15-6-4-7-16-27,28-17-8-5-9-18-28)44-24-14-23-38-35(41)34(25-40)39-36(42)43-26-33-31-21-12-10-19-29(31)30-20-11-13-22-32(30)33;1-9-11-20-23(18(13(2)3)14(4)5)21-12-10-17-15(19)22-16(6,7)8/h8-18,20-27,41-42H,1,19,28-34H2,2-7H3,(H,48,51)(H,49,52)(H,50,53);4-13,15-22,33-34,40H,14,23-26H2,1-3H3,(H,38,41)(H,39,42);9,13-14H,1,10-12H2,2-8H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 1857.33 g/mol, XLogP of 16.89, 43 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropoxy]-prop-2-enoxyphosphoryl]oxyethyl]carbamate;tert-butyl N-[2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 158301486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).