N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide

C10H19N3O3 — CID 76911812

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
SMILESCCOCC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C10H19N3O3/c1-2-16-7-10(14)13(8-3-4-8)6-5-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyNUEPJZYZADGIMB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.15
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide (PubChem CID 76911812) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
PubChem CID76911812
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
SMILESCCOCC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C10H19N3O3/c1-2-16-7-10(14)13(8-3-4-8)6-5-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyNUEPJZYZADGIMB-UHFFFAOYSA-N
XLogP0.15
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.15
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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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
CID 77044603
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
CID 107940599
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
CID 61443811
3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
CID 115730536
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 76911867
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide (CID 76911812) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide is CCOCC(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide?
The InChIKey is NUEPJZYZADGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-16-7-10(14)13(8-3-4-8)6-5-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide has a molecular weight of 229.28 g/mol, XLogP of 0.15, 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)-N-cyclopropyl-2-ethoxyacetamide is sourced from PubChem (CID 76911812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).