2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide

C26H29N3O3 — CID 60587672

IUPAC2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H29N3O3/c1-19-6-5-7-20(2)26(19)32-24-9-4-3-8-23(24)27-18-25(30)28-21-10-12-22(13-11-21)29-14-16-31-17-15-29/h3-13,27H,14-18H2,1-2H3,(H,28,30)
InChIKeyQGKRBKHLVBRMSF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.98
Rot. Bonds7

About 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 60587672) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID60587672
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H29N3O3/c1-19-6-5-7-20(2)26(19)32-24-9-4-3-8-23(24)27-18-25(30)28-21-10-12-22(13-11-21)29-14-16-31-17-15-29/h3-13,27H,14-18H2,1-2H3,(H,28,30)
InChIKeyQGKRBKHLVBRMSF-UHFFFAOYSA-N
XLogP4.98
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 33161192
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60536689
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 60587672) is 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QGKRBKHLVBRMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19-6-5-7-20(2)26(19)32-24-9-4-3-8-23(24)27-18-25(30)28-21-10-12-22(13-11-21)29-14-16-31-17-15-29/h3-13,27H,14-18H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 60587672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).