N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide

C11H23N3O3 — CID 55091887

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide
SMILESCCOCCC(=O)N(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-4-17-8-6-11(15)14(9(2)3)7-5-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRPEJDJXRBIOHCD-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.79
Rot. Bonds8

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide (PubChem CID 55091887) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide
PubChem CID55091887
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide
SMILESCCOCCC(=O)N(CC/C(N)=N/O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-4-17-8-6-11(15)14(9(2)3)7-5-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRPEJDJXRBIOHCD-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide (CID 55091887) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide is CCOCCC(=O)N(CC/C(N)=N/O)C(C)C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide?
The InChIKey is RPEJDJXRBIOHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-17-8-6-11(15)14(9(2)3)7-5-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide has a molecular weight of 245.32 g/mol, XLogP of 0.79, 8 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]-3-ethoxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 55091887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).