3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide

C21H28N2O2 — CID 109036983

IUPAC3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCNc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-14(2)25-19-8-6-18(7-9-19)22-11-10-20(24)23-21-16(4)12-15(3)13-17(21)5/h6-9,12-14,22H,10-11H2,1-5H3,(H,23,24)
InChIKeyCEUKNVCFDFENKC-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.84
Rot. Bonds7

About 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide

3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 109036983) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID109036983
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCNc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-14(2)25-19-8-6-18(7-9-19)22-11-10-20(24)23-21-16(4)12-15(3)13-17(21)5/h6-9,12-14,22H,10-11H2,1-5H3,(H,23,24)
InChIKeyCEUKNVCFDFENKC-UHFFFAOYSA-N
XLogP4.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109038875
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109031931
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
methyl 4-[3-(2,4,6-trimethylanilino)propanoylamino]benzoate
CID 109037051

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 109036983) is 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCNc2ccc(OC(C)C)cc2)c(C)c1.
What is the InChIKey of 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is CEUKNVCFDFENKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)25-19-8-6-18(7-9-19)22-11-10-20(24)23-21-16(4)12-15(3)13-17(21)5/h6-9,12-14,22H,10-11H2,1-5H3,(H,23,24).
What are the key properties of 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 109036983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).