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

C22H27N3O3 — CID 9217138

IUPAC2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(C)c1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H27N3O3/c1-17-7-6-10-20(15-17)28-16-21(26)24-23-18(2)22(19-8-4-3-5-9-19)25-11-13-27-14-12-25/h3-10,15,22H,11-14,16H2,1-2H3,(H,24,26)/b23-18-/t22-/m0/s1
InChIKeyGJEMUYDPCNNDHZ-WBVCGYLZSA-N
MW381.48 g/mol
LogP2.94
Rot. Bonds7

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

2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide (PubChem CID 9217138) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
PubChem CID9217138
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(C)c1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H27N3O3/c1-17-7-6-10-20(15-17)28-16-21(26)24-23-18(2)22(19-8-4-3-5-9-19)25-11-13-27-14-12-25/h3-10,15,22H,11-14,16H2,1-2H3,(H,24,26)/b23-18-/t22-/m0/s1
InChIKeyGJEMUYDPCNNDHZ-WBVCGYLZSA-N
XLogP2.94
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.94
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

2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9039306
2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148983
4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9231603
2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 4261144
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9194746
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 30575745
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide (CID 9217138) is 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide is C/C(=N/NC(=O)COc1cccc(C)c1)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The InChIKey is GJEMUYDPCNNDHZ-WBVCGYLZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-7-6-10-20(15-17)28-16-21(26)24-23-18(2)22(19-8-4-3-5-9-19)25-11-13-27-14-12-25/h3-10,15,22H,11-14,16H2,1-2H3,(H,24,26)/b23-18-/t22-/m0/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide is sourced from PubChem (CID 9217138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).