N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide

C12H14N2O4 — CID 173390250

IUPACN-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide
SMILESCOc1cc(CC(=O)C=NO)ccc1NC(C)=O
InChIInChI=1S/C12H14N2O4/c1-8(15)14-11-4-3-9(6-12(11)18-2)5-10(16)7-13-17/h3-4,6-7,17H,5H2,1-2H3,(H,14,15)
InChIKeyPVMVVOUQPAXUFC-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.23
Rot. Bonds5

About N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide

N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide (PubChem CID 173390250) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide
PubChem CID173390250
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide
SMILESCOc1cc(CC(=O)C=NO)ccc1NC(C)=O
InChIInChI=1S/C12H14N2O4/c1-8(15)14-11-4-3-9(6-12(11)18-2)5-10(16)7-13-17/h3-4,6-7,17H,5H2,1-2H3,(H,14,15)
InChIKeyPVMVVOUQPAXUFC-UHFFFAOYSA-N
XLogP1.23
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
(4-acetamido-3-methoxyphenyl)methyl N-ethanethioylcarbamate
CID 58894087
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
N-[4-(2-ethylphenyl)-2-methoxyphenyl]acetamide
CID 56716418
(E)-3-(4-acetamido-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 70408340
N-[2-acetamido-4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetamide
CID 134117290
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide (CID 173390250) is N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide is COc1cc(CC(=O)C=NO)ccc1NC(C)=O.
What is the InChIKey of N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide?
The InChIKey is PVMVVOUQPAXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)14-11-4-3-9(6-12(11)18-2)5-10(16)7-13-17/h3-4,6-7,17H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide?
N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide has a molecular weight of 250.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyimino-2-oxopropyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 173390250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).