acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)

C80H97Br2Cl2N7O13Y2-4 — CID 162071566

IUPACacetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)
SMILESBrCBr.C.C.CC(=O)O.NCOCOCN.OCNC(c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C(=O)Cl.[CH2-]C(=O)Cl.[CH2-]C(=O)NCOCOCNC([CH2-])=O.[Y].[Y].c1ccc(C(NCOCOCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H38N2O2.C20H19NO.C7H12N2O4.C3H10N2O2.2C2H2ClO.C2H4O2.CH2Br2.2CH4.2Y/c1-7-19-34(20-8-1)40(35-21-9-2-10-22-35,36-23-11-3-12-24-36)42-31-44-33-45-32-43-41(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39;22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-6(10)8-3-12-5-13-4-9-7(2)11;4-1-6-3-7-2-5;3*1-2(3)4;2-1-3;;;;/h1-30,42-43H,31-33H2;1-15,21-22H,16H2;1-5H2,(H,8,10)(H,9,11);1-5H2;2*1H2;1H3,(H,3,4);1H2;2*1H4;;/q;;-2;;2*-1;;;;;;
InChIKeyRUQPIFNVWOZKTJ-UHFFFAOYSA-N
MW1773.22 g/mol
LogP13.44
Rot. Bonds29

About acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)

acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium) (PubChem CID 162071566) has the molecular formula C80H97Br2Cl2N7O13Y2-4 and a molecular weight of 1773.22 g/mol. Its IUPAC name is acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium).

Molecular Properties

Compound Nameacetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)
PubChem CID162071566
Molecular FormulaC80H97Br2Cl2N7O13Y2-4
Molecular Weight1773.22 g/mol
Exact Mass1769.30
IUPAC Nameacetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)
SMILESBrCBr.C.C.CC(=O)O.NCOCOCN.OCNC(c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C(=O)Cl.[CH2-]C(=O)Cl.[CH2-]C(=O)NCOCOCNC([CH2-])=O.[Y].[Y].c1ccc(C(NCOCOCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H38N2O2.C20H19NO.C7H12N2O4.C3H10N2O2.2C2H2ClO.C2H4O2.CH2Br2.2CH4.2Y/c1-7-19-34(20-8-1)40(35-21-9-2-10-22-35,36-23-11-3-12-24-36)42-31-44-33-45-32-43-41(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39;22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-6(10)8-3-12-5-13-4-9-7(2)11;4-1-6-3-7-2-5;3*1-2(3)4;2-1-3;;;;/h1-30,42-43H,31-33H2;1-15,21-22H,16H2;1-5H2,(H,8,10)(H,9,11);1-5H2;2*1H2;1H3,(H,3,4);1H2;2*1H4;;/q;;-2;;2*-1;;;;;;
InChIKeyRUQPIFNVWOZKTJ-UHFFFAOYSA-N
XLogP13.44
TPSA293.38 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.22
LogP ≤ 513.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium) with MolForge

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Related Compounds

acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;hydrazine;N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;2-(oxiran-2-ylmethyl)isoindole-1,3-dione;(tritylamino)methanol;N-trityl-2-[(tritylamino)methoxy]ethanamine;tris(yttrium)
CID 161107796
acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;1-amino-3-[[(3-amino-2-hydroxypropyl)-methanidylamino]methoxymethoxymethyl-methanidylamino]propan-2-ol;aminomethoxymethoxymethanamine;dibromomethane;methanamine;N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;2-(oxiran-2-ylmethyl)isoindole-1,3-dione;(tritylamino)methanol;N-trityl-2-[(tritylamino)methoxy]ethanamine;tetrakis(yttrium)
CID 158933555
1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine
CID 58761168
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
methyl 2-(tritylamino)acetate
CID 637611
4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
CID 19438513
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide
CID 19438547
N-(phenylmethoxymethyl)acetamide
CID 91608192
6-(tritylamino)hexylazanium acetate
CID 171034868
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
tert-butyl N-[2-[3-[2-aminoethyl-[2-(tritylamino)ethyl]amino]-3-oxopropoxy]ethyl]carbamate
CID 170424438

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)?
The IUPAC name of acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium) (CID 162071566) is acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium).
What is the SMILES notation for acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)?
The canonical SMILES for acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium) is BrCBr.C.C.CC(=O)O.NCOCOCN.OCNC(c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C(=O)Cl.[CH2-]C(=O)Cl.[CH2-]C(=O)NCOCOCNC([CH2-])=O.[Y].[Y].c1ccc(C(NCOCOCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)?
The InChIKey is RUQPIFNVWOZKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2O2.C20H19NO.C7H12N2O4.C3H10N2O2.2C2H2ClO.C2H4O2.CH2Br2.2CH4.2Y/c1-7-19-34(20-8-1)40(35-21-9-2-10-22-35,36-23-11-3-12-24-36)42-31-44-33-45-32-43-41(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39;22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-6(10)8-3-12-5-13-4-9-7(2)11;4-1-6-3-7-2-5;3*1-2(3)4;2-1-3;;;;/h1-30,42-43H,31-33H2;1-15,21-22H,16H2;1-5H2,(H,8,10)(H,9,11);1-5H2;2*1H2;1H3,(H,3,4);1H2;2*1H4;;/q;;-2;;2*-1;;;;;;.
What are the key properties of acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)?
acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium) has a molecular weight of 1773.22 g/mol, XLogP of 13.44, 29 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium) is sourced from PubChem (CID 162071566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).