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

C12H16N4O3 — CID 134117290

IUPACN-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C/C(N)=N/O)cc1NC(C)=O
InChIInChI=1S/C12H16N4O3/c1-7(17)14-10-4-3-9(6-12(13)16-19)5-11(10)15-8(2)18/h3-5,19H,6H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyQNVBIFGUKCVUNO-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.89
Rot. Bonds4

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

N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide (PubChem CID 134117290) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide
PubChem CID134117290
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C/C(N)=N/O)cc1NC(C)=O
InChIInChI=1S/C12H16N4O3/c1-7(17)14-10-4-3-9(6-12(13)16-19)5-11(10)15-8(2)18/h3-5,19H,6H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyQNVBIFGUKCVUNO-UHFFFAOYSA-N
XLogP0.89
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.89
H-Bond Donors ≤ 54
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-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
CID 113374820
tert-butyl 2-[4-(2-amino-2-hydroxyiminoethyl)phenyl]acetate
CID 129497400
tert-butyl 2-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetate
CID 121207700
propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
CID 55057847
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 76938578
N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide
CID 173390250
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N'-hydroxy-2-[3-(methylsulfonylmethyl)phenyl]ethanimidamide
CID 76798791
2-(3-ethoxy-4-hydroxyphenyl)-N'-hydroxyethanimidamide
CID 59395610
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide?
The IUPAC name of N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide (CID 134117290) is N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide?
The canonical SMILES for N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide is CC(=O)Nc1ccc(C/C(N)=N/O)cc1NC(C)=O.
What is the InChIKey of N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide?
The InChIKey is QNVBIFGUKCVUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7(17)14-10-4-3-9(6-12(13)16-19)5-11(10)15-8(2)18/h3-5,19H,6H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide?
N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide has a molecular weight of 264.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide is sourced from PubChem (CID 134117290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).