(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide

C11H14N2O3 — CID 5413551

IUPAC(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N\NC(=O)[C@H](C)O)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)11(15)13-12-7-9-4-3-5-10(6-9)16-2/h3-8,14H,1-2H3,(H,13,15)/b12-7-/t8-/m0/s1
InChIKeyWGYIWXJRBZRPTF-VQLBTBKJSA-N
MW222.24 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide

(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 5413551) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
PubChem CID5413551
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N\NC(=O)[C@H](C)O)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)11(15)13-12-7-9-4-3-5-10(6-9)16-2/h3-8,14H,1-2H3,(H,13,15)/b12-7-/t8-/m0/s1
InChIKeyWGYIWXJRBZRPTF-VQLBTBKJSA-N
XLogP0.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 4258751
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(3-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)-2-phenylpropanamide
CID 4252456
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide (CID 5413551) is (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide is COc1cccc(/C=N\NC(=O)[C@H](C)O)c1.
What is the InChIKey of (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is WGYIWXJRBZRPTF-VQLBTBKJSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)11(15)13-12-7-9-4-3-5-10(6-9)16-2/h3-8,14H,1-2H3,(H,13,15)/b12-7-/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide?
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 222.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 5413551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).