4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide

C21H25N3O3 — CID 9231603

IUPAC4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)[C@H](c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(22-23-21(25)18-8-10-19(26-2)11-9-18)20(17-6-4-3-5-7-17)24-12-14-27-15-13-24/h3-11,20H,12-15H2,1-2H3,(H,23,25)/b22-16-/t20-/m1/s1
InChIKeyZHAXQBMZPOSXTP-SUNMQZQPSA-N
MW367.45 g/mol
LogP2.87
Rot. Bonds6

About 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide

4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (PubChem CID 9231603) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
PubChem CID9231603
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)[C@H](c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(22-23-21(25)18-8-10-19(26-2)11-9-18)20(17-6-4-3-5-7-17)24-12-14-27-15-13-24/h3-11,20H,12-15H2,1-2H3,(H,23,25)/b22-16-/t20-/m1/s1
InChIKeyZHAXQBMZPOSXTP-SUNMQZQPSA-N
XLogP2.87
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9039306
2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9194746
2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217138
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[4,5-dimethyl-3-[(S)-morpholin-4-yl(phenyl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 1382592
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (CID 9231603) is 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is COc1ccc(C(=O)N/N=C(/C)[C@H](c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The InChIKey is ZHAXQBMZPOSXTP-SUNMQZQPSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(22-23-21(25)18-8-10-19(26-2)11-9-18)20(17-6-4-3-5-7-17)24-12-14-27-15-13-24/h3-11,20H,12-15H2,1-2H3,(H,23,25)/b22-16-/t20-/m1/s1.
What are the key properties of 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is sourced from PubChem (CID 9231603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).