2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide

C22H28N4O3 — CID 9039306

IUPAC2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
SMILESCOc1cccc(NCC(=O)N/N=C(/C)[C@@H](c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C22H28N4O3/c1-17(22(18-7-4-3-5-8-18)26-11-13-29-14-12-26)24-25-21(27)16-23-19-9-6-10-20(15-19)28-2/h3-10,15,22-23H,11-14,16H2,1-2H3,(H,25,27)/b24-17-/t22-/m0/s1
InChIKeyUIAPWPPBOPGUEZ-QYJRXKHCSA-N
MW396.49 g/mol
LogP2.67
Rot. Bonds8

About 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide

2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide (PubChem CID 9039306) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
PubChem CID9039306
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
SMILESCOc1cccc(NCC(=O)N/N=C(/C)[C@@H](c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C22H28N4O3/c1-17(22(18-7-4-3-5-8-18)26-11-13-29-14-12-26)24-25-21(27)16-23-19-9-6-10-20(15-19)28-2/h3-10,15,22-23H,11-14,16H2,1-2H3,(H,25,27)/b24-17-/t22-/m0/s1
InChIKeyUIAPWPPBOPGUEZ-QYJRXKHCSA-N
XLogP2.67
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide with MolForge

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Related Compounds

4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9231603
2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217138
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9194746
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
N-(3-methoxyphenyl)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-phenylacetamide
CID 4796277
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
2-(3-chloro-2-morpholin-4-ylanilino)-N-(3-methoxyphenyl)acetamide
CID 39998814

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The IUPAC name of 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide (CID 9039306) is 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide is COc1cccc(NCC(=O)N/N=C(/C)[C@@H](c2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The InChIKey is UIAPWPPBOPGUEZ-QYJRXKHCSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17(22(18-7-4-3-5-8-18)26-11-13-29-14-12-26)24-25-21(27)16-23-19-9-6-10-20(15-19)28-2/h3-10,15,22-23H,11-14,16H2,1-2H3,(H,25,27)/b24-17-/t22-/m0/s1.
What are the key properties of 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide is sourced from PubChem (CID 9039306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).