N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate

C59H108N6O24 — CID 143799010

IUPACN,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate
SMILESCC.CC.CC.CN(CC(O)CO)CC(O)CO.Cc1c(C)c(C=O)c(C)c(NC(=O)OCCCOC(=O)Nc2c(C)c(C(=O)N(CC(O)CO)CC(O)CO)c(C)c(C(=O)N(CC(O)CO)CC(O)CO)c2C)c1C.O=CN(CC(O)CO)CC(O)CO
InChIInChI=1S/C39H58N4O15.C7H15NO5.C7H17NO4.3C2H6/c1-20-21(2)31(19-48)23(4)34(22(20)3)40-38(55)57-9-8-10-58-39(56)41-35-25(6)32(36(53)42(11-27(49)15-44)12-28(50)16-45)24(5)33(26(35)7)37(54)43(13-29(51)17-46)14-30(52)18-47;9-3-6(12)1-8(5-11)2-7(13)4-10;1-8(2-6(11)4-9)3-7(12)5-10;3*1-2/h19,27-30,44-47,49-52H,8-18H2,1-7H3,(H,40,55)(H,41,56);5-7,9-10,12-13H,1-4H2;6-7,9-12H,2-5H2,1H3;3*1-2H3
InChIKeyYSYQKOWGZAGCOX-UHFFFAOYSA-N
MW1285.53 g/mol
LogP-2.00
Rot. Bonds34

About N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate

N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate (PubChem CID 143799010) has the molecular formula C59H108N6O24 and a molecular weight of 1285.53 g/mol. Its IUPAC name is N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate.

Molecular Properties

Compound NameN,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate
PubChem CID143799010
Molecular FormulaC59H108N6O24
Molecular Weight1285.53 g/mol
Exact Mass1284.74
IUPAC NameN,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate
SMILESCC.CC.CC.CN(CC(O)CO)CC(O)CO.Cc1c(C)c(C=O)c(C)c(NC(=O)OCCCOC(=O)Nc2c(C)c(C(=O)N(CC(O)CO)CC(O)CO)c(C)c(C(=O)N(CC(O)CO)CC(O)CO)c2C)c1C.O=CN(CC(O)CO)CC(O)CO
InChIInChI=1S/C39H58N4O15.C7H15NO5.C7H17NO4.3C2H6/c1-20-21(2)31(19-48)23(4)34(22(20)3)40-38(55)57-9-8-10-58-39(56)41-35-25(6)32(36(53)42(11-27(49)15-44)12-28(50)16-45)24(5)33(26(35)7)37(54)43(13-29(51)17-46)14-30(52)18-47;9-3-6(12)1-8(5-11)2-7(13)4-10;1-8(2-6(11)4-9)3-7(12)5-10;3*1-2/h19,27-30,44-47,49-52H,8-18H2,1-7H3,(H,40,55)(H,41,56);5-7,9-10,12-13H,1-4H2;6-7,9-12H,2-5H2,1H3;3*1-2H3
InChIKeyYSYQKOWGZAGCOX-UHFFFAOYSA-N
XLogP-2.00
TPSA481.58 Ų
H-Bond Donors18
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.53
LogP ≤ 5-2.00
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate with MolForge

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Related Compounds

3-[[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamoyloxy]propyl N-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamate;ethane
CID 143798993
3-hydroxypropyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl]carbamate
CID 89185880
ethyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl]carbamate
CID 123591302
[3-[[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamoyloxy]-2-hydroxypropyl] N-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamate;ethane
CID 143798999
3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide
CID 143787605
3-N-(2,3-dihydroxypropyl)-1-N-[2-[2,3-dihydroxypropyl(formyl)amino]ethyl]-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide
CID 143787631
3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde
CID 143787632
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane
CID 143743886
5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane
CID 143854294
3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-methylamino]-2-hydroxypropyl]amino]-2-hydroxypropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 59413937
N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane
CID 153399212
5-[[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-3-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 154194777

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate?
The IUPAC name of N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate (CID 143799010) is N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate.
What is the SMILES notation for N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate?
The canonical SMILES for N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate is CC.CC.CC.CN(CC(O)CO)CC(O)CO.Cc1c(C)c(C=O)c(C)c(NC(=O)OCCCOC(=O)Nc2c(C)c(C(=O)N(CC(O)CO)CC(O)CO)c(C)c(C(=O)N(CC(O)CO)CC(O)CO)c2C)c1C.O=CN(CC(O)CO)CC(O)CO.
What is the InChIKey of N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate?
The InChIKey is YSYQKOWGZAGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58N4O15.C7H15NO5.C7H17NO4.3C2H6/c1-20-21(2)31(19-48)23(4)34(22(20)3)40-38(55)57-9-8-10-58-39(56)41-35-25(6)32(36(53)42(11-27(49)15-44)12-28(50)16-45)24(5)33(26(35)7)37(54)43(13-29(51)17-46)14-30(52)18-47;9-3-6(12)1-8(5-11)2-7(13)4-10;1-8(2-6(11)4-9)3-7(12)5-10;3*1-2/h19,27-30,44-47,49-52H,8-18H2,1-7H3,(H,40,55)(H,41,56);5-7,9-10,12-13H,1-4H2;6-7,9-12H,2-5H2,1H3;3*1-2H3.
What are the key properties of N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate?
N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate has a molecular weight of 1285.53 g/mol, XLogP of -2.00, 34 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,3-dihydroxypropyl)formamide;3-[2,3-dihydroxypropyl(methyl)amino]propane-1,2-diol;ethane;3-[(3-formyl-2,4,5,6-tetramethylphenyl)carbamoyloxy]propyl N-[3,5-bis[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-trimethylphenyl]carbamate is sourced from PubChem (CID 143799010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).