[2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate

C46H75N5O8 — CID 121263506

IUPAC[2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate
SMILESCC(C)CCNC(=O)OCC1c2cc(NC(=O)CCOC(C)(C)CCOC(C)(C)CCN)ccc2-c2ccc(NC(=O)CCOC(C)(C)CCOC(C)(C)CCN)cc21
InChIInChI=1S/C46H75N5O8/c1-32(2)15-24-49-42(54)55-31-39-37-29-33(50-40(52)16-25-56-45(7,8)20-27-58-43(3,4)18-22-47)11-13-35(37)36-14-12-34(30-38(36)39)51-41(53)17-26-57-46(9,10)21-28-59-44(5,6)19-23-48/h11-14,29-30,32,39H,15-28,31,47-48H2,1-10H3,(H,49,54)(H,50,52)(H,51,53)
InChIKeyGKSBXKGAQAERRN-UHFFFAOYSA-N
MW826.13 g/mol
LogP7.89
Rot. Bonds27

About [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate

[2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate (PubChem CID 121263506) has the molecular formula C46H75N5O8 and a molecular weight of 826.13 g/mol. Its IUPAC name is [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Name[2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate
PubChem CID121263506
Molecular FormulaC46H75N5O8
Molecular Weight826.13 g/mol
Exact Mass825.56
IUPAC Name[2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate
SMILESCC(C)CCNC(=O)OCC1c2cc(NC(=O)CCOC(C)(C)CCOC(C)(C)CCN)ccc2-c2ccc(NC(=O)CCOC(C)(C)CCOC(C)(C)CCN)cc21
InChIInChI=1S/C46H75N5O8/c1-32(2)15-24-49-42(54)55-31-39-37-29-33(50-40(52)16-25-56-45(7,8)20-27-58-43(3,4)18-22-47)11-13-35(37)36-14-12-34(30-38(36)39)51-41(53)17-26-57-46(9,10)21-28-59-44(5,6)19-23-48/h11-14,29-30,32,39H,15-28,31,47-48H2,1-10H3,(H,49,54)(H,50,52)(H,51,53)
InChIKeyGKSBXKGAQAERRN-UHFFFAOYSA-N
XLogP7.89
TPSA185.49 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.13
LogP ≤ 57.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate with MolForge

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Related Compounds

[2-(3-hydroxypropanoylamino)-7-[3-[4-(4-isocyanato-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate
CID 121263308
4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide
CID 166947124
9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887128
O-ethyl 4-[3-[[4-(5-ethoxy-2-methyl-5-sulfanylidenepentan-2-yl)oxy-2-methylbutan-2-yl]oxy-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]phosphoryl]oxy-3-methylbutoxy]-4-methylpentanethioate
CID 121265177
[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 90731632
9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate
CID 123216737
[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 134381322
tert-butyl (4S)-4-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 164586428
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
[2-[[5-oxo-5-(2-propoxyethylamino)pentanoyl]amino]-7-(2-propoxyethylcarbamoyl)-9H-fluoren-9-yl]methyl carbamate
CID 122691690
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547

Frequently Asked Questions

What is the IUPAC name of [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate?
The IUPAC name of [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate (CID 121263506) is [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate.
What is the SMILES notation for [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate?
The canonical SMILES for [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate is CC(C)CCNC(=O)OCC1c2cc(NC(=O)CCOC(C)(C)CCOC(C)(C)CCN)ccc2-c2ccc(NC(=O)CCOC(C)(C)CCOC(C)(C)CCN)cc21.
What is the InChIKey of [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate?
The InChIKey is GKSBXKGAQAERRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H75N5O8/c1-32(2)15-24-49-42(54)55-31-39-37-29-33(50-40(52)16-25-56-45(7,8)20-27-58-43(3,4)18-22-47)11-13-35(37)36-14-12-34(30-38(36)39)51-41(53)17-26-57-46(9,10)21-28-59-44(5,6)19-23-48/h11-14,29-30,32,39H,15-28,31,47-48H2,1-10H3,(H,49,54)(H,50,52)(H,51,53).
What are the key properties of [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate?
[2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate has a molecular weight of 826.13 g/mol, XLogP of 7.89, 27 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis[3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropanoylamino]-9H-fluoren-9-yl]methyl N-(3-methylbutyl)carbamate is sourced from PubChem (CID 121263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).