N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide

C13H19N3O3 — CID 80740760

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
SMILESCCCN(C/C(N)=N/O)C(=O)Cc1ccccc1O
InChIInChI=1S/C13H19N3O3/c1-2-7-16(9-12(14)15-19)13(18)8-10-5-3-4-6-11(10)17/h3-6,17,19H,2,7-9H2,1H3,(H2,14,15)
InChIKeyDOTVOFXKNYVQLP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.92
Rot. Bonds6

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide (PubChem CID 80740760) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
PubChem CID80740760
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
SMILESCCCN(C/C(N)=N/O)C(=O)Cc1ccccc1O
InChIInChI=1S/C13H19N3O3/c1-2-7-16(9-12(14)15-19)13(18)8-10-5-3-4-6-11(10)17/h3-6,17,19H,2,7-9H2,1H3,(H2,14,15)
InChIKeyDOTVOFXKNYVQLP-UHFFFAOYSA-N
XLogP0.92
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.92
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

2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80740980
N-(cyanomethyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80741251
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 81321874
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide (CID 80740760) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide is CCCN(C/C(N)=N/O)C(=O)Cc1ccccc1O.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide?
The InChIKey is DOTVOFXKNYVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-7-16(9-12(14)15-19)13(18)8-10-5-3-4-6-11(10)17/h3-6,17,19H,2,7-9H2,1H3,(H2,14,15).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide is sourced from PubChem (CID 80740760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).