2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide

C12H25N3O3 — CID 55140482

IUPAC2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)CCCOC)/C(N)=N/O
InChIInChI=1S/C12H25N3O3/c1-5-12(6-2,10(13)14-17)11(16)15(3)8-7-9-18-4/h17H,5-9H2,1-4H3,(H2,13,14)
InChIKeyQXDODSDFNAXXDW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.03
Rot. Bonds8

About 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide

2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide (PubChem CID 55140482) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
PubChem CID55140482
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)CCCOC)/C(N)=N/O
InChIInChI=1S/C12H25N3O3/c1-5-12(6-2,10(13)14-17)11(16)15(3)8-7-9-18-4/h17H,5-9H2,1-4H3,(H2,13,14)
InChIKeyQXDODSDFNAXXDW-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76920820
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76921324
N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 76921749
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 77073196
N-(2,2-difluoroethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 104871095
N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55228518
4-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methylpropyl)oxane-4-carboxamide
CID 61837904
2-(3,3-dimethylmorpholine-4-carbonyl)-2-ethyl-N'-hydroxybutanimidamide
CID 61838542
2-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N,2-dipropylpentanamide
CID 61857973
N-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-2-propylpentanamide
CID 61858368
N,N-diethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-2-propylpentanamide
CID 61859518
2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide
CID 62694619

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide?
The IUPAC name of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide (CID 55140482) is 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide.
What is the SMILES notation for 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide?
The canonical SMILES for 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide is CCC(CC)(C(=O)N(C)CCCOC)/C(N)=N/O.
What is the InChIKey of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide?
The InChIKey is QXDODSDFNAXXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-12(6-2,10(13)14-17)11(16)15(3)8-7-9-18-4/h17H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide?
2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide is sourced from PubChem (CID 55140482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).