N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium

C58H96I2K2N6O18 — CID 160890082

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium
SMILESC.C.CC(C)(C)OC(=O)NCCOCCOCCN.CC/C=C\CC(=O)NCCOCCOCCNC(=O)c1ccccc1O.CC/C=C\CC(=O)O.II.NCCOCCOCCNC(=O)c1ccccc1O.O=C(O)c1ccccc1O.[K][K]
InChIInChI=1S/C19H28N2O5.C13H20N2O4.C11H24N2O4.C7H6O3.C6H10O2.2CH4.I2.2K/c1-2-3-4-9-18(23)20-10-12-25-14-15-26-13-11-21-19(24)16-7-5-6-8-17(16)22;14-5-7-18-9-10-19-8-6-15-13(17)11-3-1-2-4-12(11)16;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6(7)8;;;1-2;;/h3-8,22H,2,9-15H2,1H3,(H,20,23)(H,21,24);1-4,16H,5-10,14H2,(H,15,17);4-9,12H2,1-3H3,(H,13,14);1-4,8H,(H,9,10);3-4H,2,5H2,1H3,(H,7,8);2*1H4;;;/b4-3-;;;;4-3-;;;;;
InChIKeySODNFRCVFKYDLL-SBVSTSOMSA-N
MW1497.43 g/mol
LogP7.04
Rot. Bonds34

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium (PubChem CID 160890082) has the molecular formula C58H96I2K2N6O18 and a molecular weight of 1497.43 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium
PubChem CID160890082
Molecular FormulaC58H96I2K2N6O18
Molecular Weight1497.43 g/mol
Exact Mass1496.41
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium
SMILESC.C.CC(C)(C)OC(=O)NCCOCCOCCN.CC/C=C\CC(=O)NCCOCCOCCNC(=O)c1ccccc1O.CC/C=C\CC(=O)O.II.NCCOCCOCCNC(=O)c1ccccc1O.O=C(O)c1ccccc1O.[K][K]
InChIInChI=1S/C19H28N2O5.C13H20N2O4.C11H24N2O4.C7H6O3.C6H10O2.2CH4.I2.2K/c1-2-3-4-9-18(23)20-10-12-25-14-15-26-13-11-21-19(24)16-7-5-6-8-17(16)22;14-5-7-18-9-10-19-8-6-15-13(17)11-3-1-2-4-12(11)16;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6(7)8;;;1-2;;/h3-8,22H,2,9-15H2,1H3,(H,20,23)(H,21,24);1-4,16H,5-10,14H2,(H,15,17);4-9,12H2,1-3H3,(H,13,14);1-4,8H,(H,9,10);3-4H,2,5H2,1H3,(H,7,8);2*1H4;;;/b4-3-;;;;4-3-;;;;;
InChIKeySODNFRCVFKYDLL-SBVSTSOMSA-N
XLogP7.04
TPSA368.34 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001497.43
LogP ≤ 57.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium with MolForge

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2-hydroxybenzamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;yttrium
CID 157257399
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide
CID 59409974
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide
CID 58173171
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium (CID 160890082) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium is C.C.CC(C)(C)OC(=O)NCCOCCOCCN.CC/C=C\CC(=O)NCCOCCOCCNC(=O)c1ccccc1O.CC/C=C\CC(=O)O.II.NCCOCCOCCNC(=O)c1ccccc1O.O=C(O)c1ccccc1O.[K][K].
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium?
The InChIKey is SODNFRCVFKYDLL-SBVSTSOMSA-N. The full InChI is InChI=1S/C19H28N2O5.C13H20N2O4.C11H24N2O4.C7H6O3.C6H10O2.2CH4.I2.2K/c1-2-3-4-9-18(23)20-10-12-25-14-15-26-13-11-21-19(24)16-7-5-6-8-17(16)22;14-5-7-18-9-10-19-8-6-15-13(17)11-3-1-2-4-12(11)16;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6(7)8;;;1-2;;/h3-8,22H,2,9-15H2,1H3,(H,20,23)(H,21,24);1-4,16H,5-10,14H2,(H,15,17);4-9,12H2,1-3H3,(H,13,14);1-4,8H,(H,9,10);3-4H,2,5H2,1H3,(H,7,8);2*1H4;;;/b4-3-;;;;4-3-;;;;;.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium has a molecular weight of 1497.43 g/mol, XLogP of 7.04, 34 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium is sourced from PubChem (CID 160890082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).