2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide

C20H24N3O3+ — CID 9212466

IUPAC2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1O)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H23N3O3/c1-15(21-22-20(25)17-9-5-6-10-18(17)24)19(16-7-3-2-4-8-16)23-11-13-26-14-12-23/h2-10,19,24H,11-14H2,1H3,(H,22,25)/p+1/b21-15-/t19-/m0/s1
InChIKeyIIUHRSCFWYNAEC-SLOMDMAXSA-O
MW354.43 g/mol
LogP1.15
Rot. Bonds5

About 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide

2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (PubChem CID 9212466) has the molecular formula C20H24N3O3+ and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
PubChem CID9212466
Molecular FormulaC20H24N3O3+
Molecular Weight354.43 g/mol
Exact Mass354.18
IUPAC Name2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1O)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H23N3O3/c1-15(21-22-20(25)17-9-5-6-10-18(17)24)19(16-7-3-2-4-8-16)23-11-13-26-14-12-23/h2-10,19,24H,11-14H2,1H3,(H,22,25)/p+1/b21-15-/t19-/m0/s1
InChIKeyIIUHRSCFWYNAEC-SLOMDMAXSA-O
XLogP1.15
TPSA75.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.15
H-Bond Donors ≤ 53
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

2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214884
N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide
CID 9211513
3,4,5-trimethoxy-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214506
3-methyl-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9231942
N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-2-thiophen-2-ylacetamide
CID 9295932
2-(4-methoxyphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217593
1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]thiourea
CID 9216820
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9231790
ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
CID 3435189
6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135722580
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (CID 9212466) is 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is C/C(=N/NC(=O)c1ccccc1O)[C@@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The InChIKey is IIUHRSCFWYNAEC-SLOMDMAXSA-O. The full InChI is InChI=1S/C20H23N3O3/c1-15(21-22-20(25)17-9-5-6-10-18(17)24)19(16-7-3-2-4-8-16)23-11-13-26-14-12-23/h2-10,19,24H,11-14H2,1H3,(H,22,25)/p+1/b21-15-/t19-/m0/s1.
What are the key properties of 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide has a molecular weight of 354.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is sourced from PubChem (CID 9212466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).