N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide

C10H21N3O3 — CID 76911575

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide
SMILESCCOCC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-16-7-10(14)13(8(2)3)6-5-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyKCCNEVWWXOVNJN-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.40
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide (PubChem CID 76911575) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide
PubChem CID76911575
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide
SMILESCCOCC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-16-7-10(14)13(8(2)3)6-5-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyKCCNEVWWXOVNJN-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.40
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-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide (CID 76911575) is N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide is CCOCC(=O)N(CCC(N)=NO)C(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide?
The InChIKey is KCCNEVWWXOVNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-16-7-10(14)13(8(2)3)6-5-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide has a molecular weight of 231.30 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 76911575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).