9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

C46H64N4O14 — CID 176888958

IUPAC9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C46H64N4O14/c1-33(48-44(53)34(2)50(3)46(55)64-42-39-11-7-5-9-37(39)38-10-6-8-12-40(38)42)43(52)49-36-15-13-35(14-16-36)41(51)45(54)47-17-18-57-21-22-59-25-26-61-29-30-63-32-31-62-28-27-60-24-23-58-20-19-56-4/h5-16,33-34,41-42,51H,17-32H2,1-4H3,(H,47,54)(H,48,53)(H,49,52)/t33-,34-,41?/m0/s1
InChIKeyXAQSWCYHCMZVLV-WWSBFYJISA-N
MW897.03 g/mol
LogP3.27
Rot. Bonds32

About 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 176888958) has the molecular formula C46H64N4O14 and a molecular weight of 897.03 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID176888958
Molecular FormulaC46H64N4O14
Molecular Weight897.03 g/mol
Exact Mass896.44
IUPAC Name9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C46H64N4O14/c1-33(48-44(53)34(2)50(3)46(55)64-42-39-11-7-5-9-37(39)38-10-6-8-12-40(38)42)43(52)49-36-15-13-35(14-16-36)41(51)45(54)47-17-18-57-21-22-59-25-26-61-29-30-63-32-31-62-28-27-60-24-23-58-20-19-56-4/h5-16,33-34,41-42,51H,17-32H2,1-4H3,(H,47,54)(H,48,53)(H,49,52)/t33-,34-,41?/m0/s1
InChIKeyXAQSWCYHCMZVLV-WWSBFYJISA-N
XLogP3.27
TPSA210.91 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.03
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

9H-fluoren-9-yl N-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(2,2,2-trifluoroethoxymethylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]carbamate
CID 171812068
9H-fluoren-9-yl N-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]propan-2-yl]amino]butan-2-yl]carbamate
CID 140689944
tert-butyl N-[2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]phenyl]-2-hydroxyethyl]carbamate
CID 171372607
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]carbamate
CID 176902963
9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
CID 174211270
9H-fluoren-9-ylmethyl N-[(2R)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 170905620
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
CID 119785054
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 123951171
2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 172838448
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 67117093

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 176888958) is 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)OC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is XAQSWCYHCMZVLV-WWSBFYJISA-N. The full InChI is InChI=1S/C46H64N4O14/c1-33(48-44(53)34(2)50(3)46(55)64-42-39-11-7-5-9-37(39)38-10-6-8-12-40(38)42)43(52)49-36-15-13-35(14-16-36)41(51)45(54)47-17-18-57-21-22-59-25-26-61-29-30-63-32-31-62-28-27-60-24-23-58-20-19-56-4/h5-16,33-34,41-42,51H,17-32H2,1-4H3,(H,47,54)(H,48,53)(H,49,52)/t33-,34-,41?/m0/s1.
What are the key properties of 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 897.03 g/mol, XLogP of 3.27, 32 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[(2S)-1-[[(2S)-1-[4-[1-hydroxy-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 176888958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).