N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide

C9H19N3O3 — CID 76946952

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-4-15-6-5-8(13)12(3)7(2)9(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyQJFDOAFBVNEMOK-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.01
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide (PubChem CID 76946952) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
PubChem CID76946952
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-4-15-6-5-8(13)12(3)7(2)9(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyQJFDOAFBVNEMOK-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.01
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'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 103940460
2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77058097
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015123
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208416
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide (CID 76946952) is N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide is CCOCCC(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide?
The InChIKey is QJFDOAFBVNEMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-4-15-6-5-8(13)12(3)7(2)9(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide is sourced from PubChem (CID 76946952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).