(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide

C18H20N2O4 — CID 7240366

IUPAC(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N/O)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(20-22)14-4-8-17(9-5-14)24-13(2)18(21)19-15-6-10-16(23-3)11-7-15/h4-11,13,22H,1-3H3,(H,19,21)/b20-12+/t13-/m0/s1
InChIKeyZOHHXJQOQLECCJ-DZUMZMOTSA-N
MW328.37 g/mol
LogP3.30
Rot. Bonds6

About (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide

(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide (PubChem CID 7240366) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide
PubChem CID7240366
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N/O)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(20-22)14-4-8-17(9-5-14)24-13(2)18(21)19-15-6-10-16(23-3)11-7-15/h4-11,13,22H,1-3H3,(H,19,21)/b20-12+/t13-/m0/s1
InChIKeyZOHHXJQOQLECCJ-DZUMZMOTSA-N
XLogP3.30
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.30
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'}

Analyze (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-methylpropanamide
CID 43117252
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
CID 24609709
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide (CID 7240366) is (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N/O)cc2)cc1.
What is the InChIKey of (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide?
The InChIKey is ZOHHXJQOQLECCJ-DZUMZMOTSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(20-22)14-4-8-17(9-5-14)24-13(2)18(21)19-15-6-10-16(23-3)11-7-15/h4-11,13,22H,1-3H3,(H,19,21)/b20-12+/t13-/m0/s1.
What are the key properties of (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide?
(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7240366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).