3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide

C12H16N2O4 — CID 43330180

IUPAC3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
SMILESCOc1cc(/C(C)=N/O)ccc1OCCC(N)=O
InChIInChI=1S/C12H16N2O4/c1-8(14-16)9-3-4-10(11(7-9)17-2)18-6-5-12(13)15/h3-4,7,16H,5-6H2,1-2H3,(H2,13,15)/b14-8+
InChIKeyQMZNVAWDYIFTCI-RIYZIHGNSA-N
MW252.27 g/mol
LogP1.15
Rot. Bonds6

About 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide

3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide (PubChem CID 43330180) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
PubChem CID43330180
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
SMILESCOc1cc(/C(C)=N/O)ccc1OCCC(N)=O
InChIInChI=1S/C12H16N2O4/c1-8(14-16)9-3-4-10(11(7-9)17-2)18-6-5-12(13)15/h3-4,7,16H,5-6H2,1-2H3,(H2,13,15)/b14-8+
InChIKeyQMZNVAWDYIFTCI-RIYZIHGNSA-N
XLogP1.15
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.15
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

4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
CID 76917538
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
CID 109374373
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355478
2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide
CID 76976993
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
4-butoxy-3-methoxybenzamide
CID 47102628
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide?
The IUPAC name of 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide (CID 43330180) is 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide.
What is the SMILES notation for 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide?
The canonical SMILES for 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide is COc1cc(/C(C)=N/O)ccc1OCCC(N)=O.
What is the InChIKey of 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide?
The InChIKey is QMZNVAWDYIFTCI-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(14-16)9-3-4-10(11(7-9)17-2)18-6-5-12(13)15/h3-4,7,16H,5-6H2,1-2H3,(H2,13,15)/b14-8+.
What are the key properties of 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide?
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide has a molecular weight of 252.27 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide is sourced from PubChem (CID 43330180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).