N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium

C9H17Gd2N3O2-2 — CID 58601951

IUPACN-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium
SMILES[CH2-]C(=O)NCCN(C)CCNC([CH2-])=O.[Gd].[Gd]
InChIInChI=1S/C9H17N3O2.2Gd/c1-8(13)10-4-6-12(3)7-5-11-9(2)14;;/h1-2,4-7H2,3H3,(H,10,13)(H,11,14);;/q-2;;
InChIKeyHSNPOWCTXGRUKW-UHFFFAOYSA-N
MW513.75 g/mol
LogP-1.18
Rot. Bonds6

About N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium

N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium (PubChem CID 58601951) has the molecular formula C9H17Gd2N3O2-2 and a molecular weight of 513.75 g/mol. Its IUPAC name is N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium.

Molecular Properties

Compound NameN-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium
PubChem CID58601951
Molecular FormulaC9H17Gd2N3O2-2
Molecular Weight513.75 g/mol
Exact Mass514.98
IUPAC NameN-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium
SMILES[CH2-]C(=O)NCCN(C)CCNC([CH2-])=O.[Gd].[Gd]
InChIInChI=1S/C9H17N3O2.2Gd/c1-8(13)10-4-6-12(3)7-5-11-9(2)14;;/h1-2,4-7H2,3H3,(H,10,13)(H,11,14);;/q-2;;
InChIKeyHSNPOWCTXGRUKW-UHFFFAOYSA-N
XLogP-1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.75
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[2-[iodomethyl(methyl)amino]ethyl]acetamide
CID 142973324
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
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CID 144591746
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
2,3,4,5,6-pentahydroxy-N-[2-[methyl-[2-(2,3,4,5,6-pentahydroxyhexanoylamino)ethyl]amino]ethyl]hexanamide
CID 58472211
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]acetamide
CID 79038056
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium?
The IUPAC name of N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium (CID 58601951) is N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium.
What is the SMILES notation for N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium?
The canonical SMILES for N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium is [CH2-]C(=O)NCCN(C)CCNC([CH2-])=O.[Gd].[Gd].
What is the InChIKey of N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium?
The InChIKey is HSNPOWCTXGRUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.2Gd/c1-8(13)10-4-6-12(3)7-5-11-9(2)14;;/h1-2,4-7H2,3H3,(H,10,13)(H,11,14);;/q-2;;.
What are the key properties of N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium?
N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium has a molecular weight of 513.75 g/mol, XLogP of -1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium is sourced from PubChem (CID 58601951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).