2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C24H31N3O4 — CID 9409641

IUPAC2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C24H31N3O4/c1-17-13-18(2)24(19(3)14-17)31-16-23(29)26(4)15-22(28)25-20-5-7-21(8-6-20)27-9-11-30-12-10-27/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,25,28)
InChIKeyLZABERUGEXFRKC-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.92
Rot. Bonds7

About 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 9409641) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID9409641
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C24H31N3O4/c1-17-13-18(2)24(19(3)14-17)31-16-23(29)26(4)15-22(28)25-20-5-7-21(8-6-20)27-9-11-30-12-10-27/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,25,28)
InChIKeyLZABERUGEXFRKC-UHFFFAOYSA-N
XLogP2.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 9409641) is 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cc(C)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is LZABERUGEXFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17-13-18(2)24(19(3)14-17)31-16-23(29)26(4)15-22(28)25-20-5-7-21(8-6-20)27-9-11-30-12-10-27/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,25,28).
What are the key properties of 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 9409641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).