3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide

C19H22N2O5 — CID 134349269

IUPAC3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C(O)C(C)N(C=O)c1ccccc1OC
InChIInChI=1S/C19H22N2O5/c1-13(21(12-22)15-9-5-7-11-17(15)26-3)18(23)19(24)20-14-8-4-6-10-16(14)25-2/h4-13,18,23H,1-3H3,(H,20,24)
InChIKeySSZUJDVSPCSVEM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.05
Rot. Bonds8

About 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide

3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide (PubChem CID 134349269) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide
PubChem CID134349269
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C(O)C(C)N(C=O)c1ccccc1OC
InChIInChI=1S/C19H22N2O5/c1-13(21(12-22)15-9-5-7-11-17(15)26-3)18(23)19(24)20-14-8-4-6-10-16(14)25-2/h4-13,18,23H,1-3H3,(H,20,24)
InChIKeySSZUJDVSPCSVEM-UHFFFAOYSA-N
XLogP2.05
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide
CID 134349382
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533

Frequently Asked Questions

What is the IUPAC name of 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide (CID 134349269) is 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)C(O)C(C)N(C=O)c1ccccc1OC.
What is the InChIKey of 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide?
The InChIKey is SSZUJDVSPCSVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(21(12-22)15-9-5-7-11-17(15)26-3)18(23)19(24)20-14-8-4-6-10-16(14)25-2/h4-13,18,23H,1-3H3,(H,20,24).
What are the key properties of 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide?
3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide has a molecular weight of 358.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 134349269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).