N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide

C23H28N2O4 — CID 108540659

IUPACN-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCNC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C23H28N2O4/c1-16-7-9-19(10-8-16)20(26)11-12-22(27)24-13-14-25-23(28)15-29-21-6-4-5-17(2)18(21)3/h4-10H,11-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyIMFYMUASBKHOOR-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.89
Rot. Bonds10

About N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide

N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 108540659) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID108540659
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCNC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C23H28N2O4/c1-16-7-9-19(10-8-16)20(26)11-12-22(27)24-13-14-25-23(28)15-29-21-6-4-5-17(2)18(21)3/h4-10H,11-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyIMFYMUASBKHOOR-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108572559
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108546043
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
CID 108538583
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 45155077
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
methyl 4-[2-[2-(2,3-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 17343916
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide (CID 108540659) is N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCCNC(=O)COc2cccc(C)c2C)cc1.
What is the InChIKey of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is IMFYMUASBKHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-7-9-19(10-8-16)20(26)11-12-22(27)24-13-14-25-23(28)15-29-21-6-4-5-17(2)18(21)3/h4-10H,11-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 396.49 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108540659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).