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

C18H22N2O4 — CID 134349346

IUPAC2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C(O)C(C)Nc1ccccc1OC
InChIInChI=1S/C18H22N2O4/c1-12(19-13-8-4-6-10-15(13)23-2)17(21)18(22)20-14-9-5-7-11-16(14)24-3/h4-12,17,19,21H,1-3H3,(H,20,22)
InChIKeyNQKWVRJDABGTJL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.50
Rot. Bonds7

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

2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide (PubChem CID 134349346) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
PubChem CID134349346
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C(O)C(C)Nc1ccccc1OC
InChIInChI=1S/C18H22N2O4/c1-12(19-13-8-4-6-10-15(13)23-2)17(21)18(22)20-14-9-5-7-11-16(14)24-3/h4-12,17,19,21H,1-3H3,(H,20,22)
InChIKeyNQKWVRJDABGTJL-UHFFFAOYSA-N
XLogP2.50
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide
CID 134349936
3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide
CID 134349269
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide (CID 134349346) is 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)C(O)C(C)Nc1ccccc1OC.
What is the InChIKey of 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide?
The InChIKey is NQKWVRJDABGTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(19-13-8-4-6-10-15(13)23-2)17(21)18(22)20-14-9-5-7-11-16(14)24-3/h4-12,17,19,21H,1-3H3,(H,20,22).
What are the key properties of 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide?
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide has a molecular weight of 330.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 134349346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).