[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))

C24H35N5O7Rb2 — CID 58705310

IUPAC[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))
SMILESCCCNC(=O)OCCCOCC[N-]C(=O)CC(=O)[N-]c1ccc(CC(=O)NCCC(=O)NC)cc1.[Rb+].[Rb+]
InChIInChI=1S/C24H37N5O7.2Rb/c1-3-10-28-24(34)36-14-4-13-35-15-12-27-22(32)17-23(33)29-19-7-5-18(6-8-19)16-21(31)26-11-9-20(30)25-2;;/h5-8H,3-4,9-17H2,1-2H3,(H5,25,26,27,28,29,30,31,32,33,34);;/q;2*+1/p-2
InChIKeyJIVIHJVUVKFJOE-UHFFFAOYSA-L
MW676.51 g/mol
LogP-4.15
Rot. Bonds17

About [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))

[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)) (PubChem CID 58705310) has the molecular formula C24H35N5O7Rb2 and a molecular weight of 676.51 g/mol. Its IUPAC name is [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)).

Molecular Properties

Compound Name[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))
PubChem CID58705310
Molecular FormulaC24H35N5O7Rb2
Molecular Weight676.51 g/mol
Exact Mass675.08
IUPAC Name[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))
SMILESCCCNC(=O)OCCCOCC[N-]C(=O)CC(=O)[N-]c1ccc(CC(=O)NCCC(=O)NC)cc1.[Rb+].[Rb+]
InChIInChI=1S/C24H37N5O7.2Rb/c1-3-10-28-24(34)36-14-4-13-35-15-12-27-22(32)17-23(33)29-19-7-5-18(6-8-19)16-21(31)26-11-9-20(30)25-2;;/h5-8H,3-4,9-17H2,1-2H3,(H5,25,26,27,28,29,30,31,32,33,34);;/q;2*+1/p-2
InChIKeyJIVIHJVUVKFJOE-UHFFFAOYSA-L
XLogP-4.15
TPSA168.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.51
LogP ≤ 5-4.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)) with MolForge

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Related Compounds

[4-(2,4-dioxopentyl)phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))
CID 58705379
4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide
CID 59745815
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide
CID 59745848
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
octadecyl N-propylcarbamate
CID 175015942
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
CID 156757449
butyl N-[2-(pentanoylamino)ethyl]carbamate
CID 108573829
butyl N-[3-[2-[2-[3-[(2-azidoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 86649097

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))?
The IUPAC name of [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)) (CID 58705310) is [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)).
What is the SMILES notation for [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))?
The canonical SMILES for [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)) is CCCNC(=O)OCCCOCC[N-]C(=O)CC(=O)[N-]c1ccc(CC(=O)NCCC(=O)NC)cc1.[Rb+].[Rb+].
What is the InChIKey of [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))?
The InChIKey is JIVIHJVUVKFJOE-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H37N5O7.2Rb/c1-3-10-28-24(34)36-14-4-13-35-15-12-27-22(32)17-23(33)29-19-7-5-18(6-8-19)16-21(31)26-11-9-20(30)25-2;;/h5-8H,3-4,9-17H2,1-2H3,(H5,25,26,27,28,29,30,31,32,33,34);;/q;2*+1/p-2.
What are the key properties of [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))?
[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)) has a molecular weight of 676.51 g/mol, XLogP of -4.15, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+)) is sourced from PubChem (CID 58705310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).