N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide

C10H21N3O3 — CID 103022071

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide
SMILESCCN(CCC(N)=NO)C(=O)C(C)(C)OC
InChIInChI=1S/C10H21N3O3/c1-5-13(7-6-8(11)12-15)9(14)10(2,3)16-4/h15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyJYHJEUDDBMLIIF-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.40
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide (PubChem CID 103022071) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide
PubChem CID103022071
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide
SMILESCCN(CCC(N)=NO)C(=O)C(C)(C)OC
InChIInChI=1S/C10H21N3O3/c1-5-13(7-6-8(11)12-15)9(14)10(2,3)16-4/h15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyJYHJEUDDBMLIIF-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43593166
3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)propanamide
CID 55136561
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-methylacetamide
CID 61277782
3-amino-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide
CID 61447583
(3Z)-3-amino-3-hydroxyimino-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 61858016
CID 74883220
CID 74883220
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)propanamide
CID 76175496
3-amino-3-hydroxyimino-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
CID 76910183
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide
CID 76910477
N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide
CID 76910557
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-ethylacetamide
CID 76910705

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide (CID 103022071) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide is CCN(CCC(N)=NO)C(=O)C(C)(C)OC.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide?
The InChIKey is JYHJEUDDBMLIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-5-13(7-6-8(11)12-15)9(14)10(2,3)16-4/h15H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 0.40, 6 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-ethyl-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103022071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).