3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide

C10H21N3O3 — CID 76921489

IUPAC3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCCOCC(C)NC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-5-16-6-7(2)12-9(14)10(3,4)8(11)13-15/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFHPWVQXKERQQFM-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.30
Rot. Bonds6

About 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76921489) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76921489
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCCOCC(C)NC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-5-16-6-7(2)12-9(14)10(3,4)8(11)13-15/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFHPWVQXKERQQFM-UHFFFAOYSA-N
XLogP0.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
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 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 76921489) is 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide is CCOCC(C)NC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is FHPWVQXKERQQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-5-16-6-7(2)12-9(14)10(3,4)8(11)13-15/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76921489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).