[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium

C20H46N6O9P2+2 — CID 90883909

IUPAC[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium
SMILESCCNCCC(=O)NCCNCCC(=O)NCCNC(=O)CN(C[P+](O)(OC)OC)C[P+](O)(OC)OC
InChIInChI=1S/C20H44N6O9P2/c1-6-21-9-7-18(27)23-12-11-22-10-8-19(28)24-13-14-25-20(29)15-26(16-36(30,32-2)33-3)17-37(31,34-4)35-5/h21-22,30-31H,6-17H2,1-5H3,(H-2,23,24,25,27,28,29)/p+2
InChIKeyVARVTJHMAQBGGX-UHFFFAOYSA-P
MW576.57 g/mol
LogP-1.37
Rot. Bonds23

About [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium

[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium (PubChem CID 90883909) has the molecular formula C20H46N6O9P2+2 and a molecular weight of 576.57 g/mol. Its IUPAC name is [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium.

Molecular Properties

Compound Name[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium
PubChem CID90883909
Molecular FormulaC20H46N6O9P2+2
Molecular Weight576.57 g/mol
Exact Mass576.28
IUPAC Name[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium
SMILESCCNCCC(=O)NCCNCCC(=O)NCCNC(=O)CN(C[P+](O)(OC)OC)C[P+](O)(OC)OC
InChIInChI=1S/C20H44N6O9P2/c1-6-21-9-7-18(27)23-12-11-22-10-8-19(28)24-13-14-25-20(29)15-26(16-36(30,32-2)33-3)17-37(31,34-4)35-5/h21-22,30-31H,6-17H2,1-5H3,(H-2,23,24,25,27,28,29)/p+2
InChIKeyVARVTJHMAQBGGX-UHFFFAOYSA-P
XLogP-1.37
TPSA191.98 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500576.57
LogP ≤ 5-1.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium with MolForge

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Related Compounds

disodium;[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 123452847
[[2-[2-[3-(ethylamino)propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid;[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 159064122
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)propanamide
CID 119508820
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
disodium;[[2-oxo-2-[3-[3-(propylamino)propylamino]propylamino]ethyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 123277985

Frequently Asked Questions

What is the IUPAC name of [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium?
The IUPAC name of [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium (CID 90883909) is [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium.
What is the SMILES notation for [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium?
The canonical SMILES for [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium is CCNCCC(=O)NCCNCCC(=O)NCCNC(=O)CN(C[P+](O)(OC)OC)C[P+](O)(OC)OC.
What is the InChIKey of [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium?
The InChIKey is VARVTJHMAQBGGX-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H44N6O9P2/c1-6-21-9-7-18(27)23-12-11-22-10-8-19(28)24-13-14-25-20(29)15-26(16-36(30,32-2)33-3)17-37(31,34-4)35-5/h21-22,30-31H,6-17H2,1-5H3,(H-2,23,24,25,27,28,29)/p+2.
What are the key properties of [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium?
[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium has a molecular weight of 576.57 g/mol, XLogP of -1.37, 23 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-[[hydroxy(dimethoxy)phosphaniumyl]methyl]amino]methyl-hydroxy-dimethoxyphosphanium is sourced from PubChem (CID 90883909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).