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

C9H19N3O3 — CID 55219793

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(CCOC)CC/C(N)=N/O
InChIInChI=1S/C9H19N3O3/c1-3-9(13)12(6-7-15-2)5-4-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyATCNTNBAFAGHMB-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.01
Rot. Bonds7

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

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide (PubChem CID 55219793) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
PubChem CID55219793
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(CCOC)CC/C(N)=N/O
InChIInChI=1S/C9H19N3O3/c1-3-9(13)12(6-7-15-2)5-4-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyATCNTNBAFAGHMB-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': '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-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 76994029
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 77015080
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
CID 81327797
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76994049
N-(3-amino-3-hydroxyiminopropyl)-3-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 77007089
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 80640935
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 77113122
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802159

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide (CID 55219793) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide is CCC(=O)N(CCOC)CC/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide?
The InChIKey is ATCNTNBAFAGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-9(13)12(6-7-15-2)5-4-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide has a molecular weight of 217.27 g/mol, XLogP of 0.01, 7 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]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 55219793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).