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

C100H193FN16O30 — CID 159263105

IUPAC4-[[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
SMILESCCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCN)CCNC(=O)CCCCCN.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCNC(=O)CCC(=O)O)CCNC(=O)CCCCCNC(=O)CCC(=O)O.F
InChIInChI=1S/C36H64N6O13.C28H56N6O7.2C18H36N2O5.FH/c1-3-21-41(22-4-2)35(51)54-27-25-53-26-28-55-36(52)42(23-19-39-29(43)11-7-5-9-17-37-31(45)13-15-33(47)48)24-20-40-30(44)12-8-6-10-18-38-32(46)14-16-34(49)50;1-3-17-33(18-4-2)27(37)40-23-21-39-22-24-41-28(38)34(19-15-31-25(35)11-7-5-9-13-29)20-16-32-26(36)12-8-6-10-14-30;2*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;/h3-28H2,1-2H3,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,47,48)(H,49,50);3-24,29-30H2,1-2H3,(H,31,35)(H,32,36);2*5-16H2,1-4H3;1H
InChIKeyKWTIXONCFRJRBN-UHFFFAOYSA-N
MW2118.72 g/mol
LogP11.18
Rot. Bonds88

About 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

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 (PubChem CID 159263105) has the molecular formula C100H193FN16O30 and a molecular weight of 2118.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID159263105
Molecular FormulaC100H193FN16O30
Molecular Weight2118.72 g/mol
Exact Mass2117.41
IUPAC Name4-[[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
SMILESCCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCN)CCNC(=O)CCCCCN.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCNC(=O)CCC(=O)O)CCNC(=O)CCCCCNC(=O)CCC(=O)O.F
InChIInChI=1S/C36H64N6O13.C28H56N6O7.2C18H36N2O5.FH/c1-3-21-41(22-4-2)35(51)54-27-25-53-26-28-55-36(52)42(23-19-39-29(43)11-7-5-9-17-37-31(45)13-15-33(47)48)24-20-40-30(44)12-8-6-10-18-38-32(46)14-16-34(49)50;1-3-17-33(18-4-2)27(37)40-23-21-39-22-24-41-28(38)34(19-15-31-25(35)11-7-5-9-13-29)20-16-32-26(36)12-8-6-10-14-30;2*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;/h3-28H2,1-2H3,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,47,48)(H,49,50);3-24,29-30H2,1-2H3,(H,31,35)(H,32,36);2*5-16H2,1-4H3;1H
InChIKeyKWTIXONCFRJRBN-UHFFFAOYSA-N
XLogP11.18
TPSA574.48 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds88
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002118.72
LogP ≤ 511.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
N-(4-aminobutyl)tetracosanamide
CID 171117181
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCC)CCC.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCN)CCNC(=O)CCCCCN.CCCN(CCC)C(=O)OCCOCCOC(=O)N(CCNC(=O)CCCCCNC(=O)CCC(=O)O)CCNC(=O)CCCCCNC(=O)CCC(=O)O.F.
What is the InChIKey of 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?
The InChIKey is KWTIXONCFRJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N6O13.C28H56N6O7.2C18H36N2O5.FH/c1-3-21-41(22-4-2)35(51)54-27-25-53-26-28-55-36(52)42(23-19-39-29(43)11-7-5-9-17-37-31(45)13-15-33(47)48)24-20-40-30(44)12-8-6-10-18-38-32(46)14-16-34(49)50;1-3-17-33(18-4-2)27(37)40-23-21-39-22-24-41-28(38)34(19-15-31-25(35)11-7-5-9-13-29)20-16-32-26(36)12-8-6-10-14-30;2*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;/h3-28H2,1-2H3,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,47,48)(H,49,50);3-24,29-30H2,1-2H3,(H,31,35)(H,32,36);2*5-16H2,1-4H3;1H.
What are the key properties of 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?
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 has a molecular weight of 2118.72 g/mol, XLogP of 11.18, 88 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159263105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).