3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide

C9H19N3O3 — CID 76924675

IUPAC3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide
SMILESCCCN(CCO)C(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-3-4-12(5-6-13)9(14)7(2)8(10)11-15/h7,13,15H,3-6H2,1-2H3,(H2,10,11)
InChIKeyAVXQDVARBDNYHY-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.40
Rot. Bonds6

About 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide

3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide (PubChem CID 76924675) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide
PubChem CID76924675
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide
SMILESCCCN(CCO)C(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-3-4-12(5-6-13)9(14)7(2)8(10)11-15/h7,13,15H,3-6H2,1-2H3,(H2,10,11)
InChIKeyAVXQDVARBDNYHY-UHFFFAOYSA-N
XLogP-0.40
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.40
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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Related Compounds

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide
CID 107482211
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
CID 107482213
N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
CID 107482215
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 107482223
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
CID 107482230
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107482231
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107482233
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107482239
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107482245
N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 113964693
(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide
CID 43156006
(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide
CID 43269063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide (CID 76924675) is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide is CCCN(CCO)C(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide?
The InChIKey is AVXQDVARBDNYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-4-12(5-6-13)9(14)7(2)8(10)11-15/h7,13,15H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide?
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide has a molecular weight of 217.27 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide is sourced from PubChem (CID 76924675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).