N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide

C12H25N3O3 — CID 55172868

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide
SMILESCCC(CC)C(=O)N(CCOC)CC/C(N)=N/O
InChIInChI=1S/C12H25N3O3/c1-4-10(5-2)12(16)15(8-9-18-3)7-6-11(13)14-17/h10,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyPHJYJNZBPBJLKZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.03
Rot. Bonds9

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide (PubChem CID 55172868) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide
PubChem CID55172868
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide
SMILESCCC(CC)C(=O)N(CCOC)CC/C(N)=N/O
InChIInChI=1S/C12H25N3O3/c1-4-10(5-2)12(16)15(8-9-18-3)7-6-11(13)14-17/h10,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyPHJYJNZBPBJLKZ-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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': '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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide (CID 55172868) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide is CCC(CC)C(=O)N(CCOC)CC/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
The InChIKey is PHJYJNZBPBJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-4-10(5-2)12(16)15(8-9-18-3)7-6-11(13)14-17/h10,17H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide has a molecular weight of 259.35 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 55172868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).