formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate

C84H168N8O24 — CID 157284155

IUPACformic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate
SMILESC.C.C.C.C.C.C=CCOC(=O)C(CCCCNC(=O)OCCCCOC(=O)NCCCCCNC(=O)OCCCCCCCC)NC(=O)OCCCCCCCC.C=CCOC=O.CCCCCCCCOC(=O)NCCCCCNC(=O)OCCCCOC(=O)NCCCCC(NC(=O)OCCCCCCCC)C(=O)O.O=CO
InChIInChI=1S/C38H70N4O10.C35H66N4O10.C4H6O2.CH2O2.6CH4/c1-4-7-9-11-13-20-29-49-35(44)39-25-17-15-18-26-40-36(45)50-31-22-23-32-51-37(46)41-27-19-16-24-33(34(43)48-28-6-3)42-38(47)52-30-21-14-12-10-8-5-2;1-3-5-7-9-11-18-26-46-32(42)36-23-15-13-16-24-37-33(43)47-28-20-21-29-48-34(44)38-25-17-14-22-30(31(40)41)39-35(45)49-27-19-12-10-8-6-4-2;1-2-3-6-4-5;2-1-3;;;;;;/h6,33H,3-5,7-32H2,1-2H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47);30H,3-29H2,1-2H3,(H,36,42)(H,37,43)(H,38,44)(H,39,45)(H,40,41);2,4H,1,3H2;1H,(H,2,3);6*1H4
InChIKeyBAAJFCJIILXIMN-UHFFFAOYSA-N
MW1674.30 g/mol
LogP18.88
Rot. Bonds69

About formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate

formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate (PubChem CID 157284155) has the molecular formula C84H168N8O24 and a molecular weight of 1674.30 g/mol. Its IUPAC name is formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate.

Molecular Properties

Compound Nameformic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate
PubChem CID157284155
Molecular FormulaC84H168N8O24
Molecular Weight1674.30 g/mol
Exact Mass1673.22
IUPAC Nameformic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate
SMILESC.C.C.C.C.C.C=CCOC(=O)C(CCCCNC(=O)OCCCCOC(=O)NCCCCCNC(=O)OCCCCCCCC)NC(=O)OCCCCCCCC.C=CCOC=O.CCCCCCCCOC(=O)NCCCCCNC(=O)OCCCCOC(=O)NCCCCC(NC(=O)OCCCCCCCC)C(=O)O.O=CO
InChIInChI=1S/C38H70N4O10.C35H66N4O10.C4H6O2.CH2O2.6CH4/c1-4-7-9-11-13-20-29-49-35(44)39-25-17-15-18-26-40-36(45)50-31-22-23-32-51-37(46)41-27-19-16-24-33(34(43)48-28-6-3)42-38(47)52-30-21-14-12-10-8-5-2;1-3-5-7-9-11-18-26-46-32(42)36-23-15-13-16-24-37-33(43)47-28-20-21-29-48-34(44)38-25-17-14-22-30(31(40)41)39-35(45)49-27-19-12-10-8-6-4-2;1-2-3-6-4-5;2-1-3;;;;;;/h6,33H,3-5,7-32H2,1-2H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47);30H,3-29H2,1-2H3,(H,36,42)(H,37,43)(H,38,44)(H,39,45)(H,40,41);2,4H,1,3H2;1H,(H,2,3);6*1H4
InChIKeyBAAJFCJIILXIMN-UHFFFAOYSA-N
XLogP18.88
TPSA433.84 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds69
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001674.30
LogP ≤ 518.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate with MolForge

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Related Compounds

prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[[5-(octoxycarbonylamino)-6-oxo-6-prop-2-enoxyhexyl]carbamoyloxy]butoxycarbonylamino]hexanoate
CID 58225453
dodecyl 2-(prop-2-enoxycarbonylamino)octanoate
CID 91732520
heptadecyl 2-(prop-2-enoxycarbonylamino)hexanoate
CID 91725598
2-(butoxycarbonylamino)octanoic acid
CID 87548518
nonyl 2-(prop-2-enoxycarbonylamino)pentanoate
CID 91722486
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808
ethyl 2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603912
ethyl (2S)-2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603854
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 177147686
hexadecyl N-[(2S)-6-amino-1-(octylamino)-1-oxohexan-2-yl]carbamate
CID 135363859
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate?
The IUPAC name of formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate (CID 157284155) is formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate.
What is the SMILES notation for formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate?
The canonical SMILES for formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate is C.C.C.C.C.C.C=CCOC(=O)C(CCCCNC(=O)OCCCCOC(=O)NCCCCCNC(=O)OCCCCCCCC)NC(=O)OCCCCCCCC.C=CCOC=O.CCCCCCCCOC(=O)NCCCCCNC(=O)OCCCCOC(=O)NCCCCC(NC(=O)OCCCCCCCC)C(=O)O.O=CO.
What is the InChIKey of formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate?
The InChIKey is BAAJFCJIILXIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70N4O10.C35H66N4O10.C4H6O2.CH2O2.6CH4/c1-4-7-9-11-13-20-29-49-35(44)39-25-17-15-18-26-40-36(45)50-31-22-23-32-51-37(46)41-27-19-16-24-33(34(43)48-28-6-3)42-38(47)52-30-21-14-12-10-8-5-2;1-3-5-7-9-11-18-26-46-32(42)36-23-15-13-16-24-37-33(43)47-28-20-21-29-48-34(44)38-25-17-14-22-30(31(40)41)39-35(45)49-27-19-12-10-8-6-4-2;1-2-3-6-4-5;2-1-3;;;;;;/h6,33H,3-5,7-32H2,1-2H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47);30H,3-29H2,1-2H3,(H,36,42)(H,37,43)(H,38,44)(H,39,45)(H,40,41);2,4H,1,3H2;1H,(H,2,3);6*1H4.
What are the key properties of formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate?
formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate has a molecular weight of 1674.30 g/mol, XLogP of 18.88, 69 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methane;2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoic acid;prop-2-enyl formate;prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[5-(octoxycarbonylamino)pentylcarbamoyloxy]butoxycarbonylamino]hexanoate is sourced from PubChem (CID 157284155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).