N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide

C12H17N3O3 — CID 113374820

IUPACN-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(18-2)12(16)14-10-5-3-9(4-6-10)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJWDHPOWARGELMP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.95
Rot. Bonds5

About N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide

N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide (PubChem CID 113374820) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
PubChem CID113374820
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(18-2)12(16)14-10-5-3-9(4-6-10)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJWDHPOWARGELMP-UHFFFAOYSA-N
XLogP0.95
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.95
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

propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
CID 55057847
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182775
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646
N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide
CID 134117290
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 76938619
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 76938578
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide?
The IUPAC name of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide (CID 113374820) is N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide.
What is the SMILES notation for N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide?
The canonical SMILES for N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide is COC(C)C(=O)Nc1ccc(C/C(N)=N/O)cc1.
What is the InChIKey of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide?
The InChIKey is JWDHPOWARGELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(18-2)12(16)14-10-5-3-9(4-6-10)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide?
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide has a molecular weight of 251.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide is sourced from PubChem (CID 113374820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).