2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane

C111H212Br4Cl2N22O32 — CID 160554065

IUPAC2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane
SMILESC.C.C.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.NCCCCCC(=O)NCCN(CCNC(=O)CCCCCN)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCN)CCNC(=O)CCCCCN.O=C(CBr)NCCCCCC(=O)NCCN(CCNC(=O)CCCCCNC(=O)CBr)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCNC(=O)CBr)CCNC(=O)CCCCCNC(=O)CBr.O=C(Cl)OCCOCCOC(=O)Cl
InChIInChI=1S/C46H80Br4N10O13.C38H76N10O9.C18H36N2O5.C6H8Cl2O5.3CH4/c47-33-41(65)51-17-9-1-5-13-37(61)55-21-25-59(26-22-56-38(62)14-6-2-10-18-52-42(66)34-48)45(69)72-31-29-71-30-32-73-46(70)60(27-23-57-39(63)15-7-3-11-19-53-43(67)35-49)28-24-58-40(64)16-8-4-12-20-54-44(68)36-50;39-17-9-1-5-13-33(49)43-21-25-47(26-22-44-34(50)14-6-2-10-18-40)37(53)56-31-29-55-30-32-57-38(54)48(27-23-45-35(51)15-7-3-11-19-41)28-24-46-36(52)16-8-4-12-20-42;1-5-9-19(10-6-2)17(21)24-15-13-23-14-16-25-18(22)20(11-7-3)12-8-4;7-5(9)12-3-1-11-2-4-13-6(8)10;;;/h1-36H2,(H,51,65)(H,52,66)(H,53,67)(H,54,68)(H,55,61)(H,56,62)(H,57,63)(H,58,64);1-32,39-42H2,(H,43,49)(H,44,50)(H,45,51)(H,46,52);5-16H2,1-4H3;1-4H2;3*1H4
InChIKeyQYLJKRHSVAGWRR-UHFFFAOYSA-N
MW2757.56 g/mol
LogP10.23
Rot. Bonds104

About 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane

2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane (PubChem CID 160554065) has the molecular formula C111H212Br4Cl2N22O32 and a molecular weight of 2757.56 g/mol. Its IUPAC name is 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane.

Molecular Properties

Compound Name2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane
PubChem CID160554065
Molecular FormulaC111H212Br4Cl2N22O32
Molecular Weight2757.56 g/mol
Exact Mass2751.17
IUPAC Name2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane
SMILESC.C.C.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.NCCCCCC(=O)NCCN(CCNC(=O)CCCCCN)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCN)CCNC(=O)CCCCCN.O=C(CBr)NCCCCCC(=O)NCCN(CCNC(=O)CCCCCNC(=O)CBr)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCNC(=O)CBr)CCNC(=O)CCCCCNC(=O)CBr.O=C(Cl)OCCOCCOC(=O)Cl
InChIInChI=1S/C46H80Br4N10O13.C38H76N10O9.C18H36N2O5.C6H8Cl2O5.3CH4/c47-33-41(65)51-17-9-1-5-13-37(61)55-21-25-59(26-22-56-38(62)14-6-2-10-18-52-42(66)34-48)45(69)72-31-29-71-30-32-73-46(70)60(27-23-57-39(63)15-7-3-11-19-53-43(67)35-49)28-24-58-40(64)16-8-4-12-20-54-44(68)36-50;39-17-9-1-5-13-33(49)43-21-25-47(26-22-44-34(50)14-6-2-10-18-40)37(53)56-31-29-55-30-32-57-38(54)48(27-23-45-35(51)15-7-3-11-19-41)28-24-46-36(52)16-8-4-12-20-42;1-5-9-19(10-6-2)17(21)24-15-13-23-14-16-25-18(22)20(11-7-3)12-8-4;7-5(9)12-3-1-11-2-4-13-6(8)10;;;/h1-36H2,(H,51,65)(H,52,66)(H,53,67)(H,54,68)(H,55,61)(H,56,62)(H,57,63)(H,58,64);1-32,39-42H2,(H,43,49)(H,44,50)(H,45,51)(H,46,52);5-16H2,1-4H3;1-4H2;3*1H4
InChIKeyQYLJKRHSVAGWRR-UHFFFAOYSA-N
XLogP10.23
TPSA720.04 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds104
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.56
LogP ≤ 510.23
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane with MolForge

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Related Compounds

2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate
CID 161363674
4-[[6-[2-[2-[6-(3-carboxypropanoylamino)hexanoylamino]ethyl-[2-[2-(dipropylcarbamoyloxy)ethoxy]ethoxycarbonyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutanoic acid;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;bis(2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate);hydrofluoride
CID 159263105
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane
CID 157336763
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane?
The IUPAC name of 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane (CID 160554065) is 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane.
What is the SMILES notation for 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane?
The canonical SMILES for 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane is C.C.C.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.NCCCCCC(=O)NCCN(CCNC(=O)CCCCCN)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCN)CCNC(=O)CCCCCN.O=C(CBr)NCCCCCC(=O)NCCN(CCNC(=O)CCCCCNC(=O)CBr)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCNC(=O)CBr)CCNC(=O)CCCCCNC(=O)CBr.O=C(Cl)OCCOCCOC(=O)Cl.
What is the InChIKey of 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane?
The InChIKey is QYLJKRHSVAGWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H80Br4N10O13.C38H76N10O9.C18H36N2O5.C6H8Cl2O5.3CH4/c47-33-41(65)51-17-9-1-5-13-37(61)55-21-25-59(26-22-56-38(62)14-6-2-10-18-52-42(66)34-48)45(69)72-31-29-71-30-32-73-46(70)60(27-23-57-39(63)15-7-3-11-19-53-43(67)35-49)28-24-58-40(64)16-8-4-12-20-54-44(68)36-50;39-17-9-1-5-13-33(49)43-21-25-47(26-22-44-34(50)14-6-2-10-18-40)37(53)56-31-29-55-30-32-57-38(54)48(27-23-45-35(51)15-7-3-11-19-41)28-24-46-36(52)16-8-4-12-20-42;1-5-9-19(10-6-2)17(21)24-15-13-23-14-16-25-18(22)20(11-7-3)12-8-4;7-5(9)12-3-1-11-2-4-13-6(8)10;;;/h1-36H2,(H,51,65)(H,52,66)(H,53,67)(H,54,68)(H,55,61)(H,56,62)(H,57,63)(H,58,64);1-32,39-42H2,(H,43,49)(H,44,50)(H,45,51)(H,46,52);5-16H2,1-4H3;1-4H2;3*1H4.
What are the key properties of 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane?
2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane has a molecular weight of 2757.56 g/mol, XLogP of 10.23, 104 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane is sourced from PubChem (CID 160554065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).