N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide

C23H30N2O4 — CID 108541189

IUPACN-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)COc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H30N2O4/c1-17-10-11-20(19(14-17)23(2,3)4)29-16-22(27)25-13-12-24-21(26)15-28-18-8-6-5-7-9-18/h5-11,14H,12-13,15-16H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFDLHVMAQKFQSBC-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.98
Rot. Bonds9

About N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide

N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide (PubChem CID 108541189) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
PubChem CID108541189
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)COc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H30N2O4/c1-17-10-11-20(19(14-17)23(2,3)4)29-16-22(27)25-13-12-24-21(26)15-28-18-8-6-5-7-9-18/h5-11,14H,12-13,15-16H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFDLHVMAQKFQSBC-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.98
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-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108541208
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 108572463
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 108541196
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108572464
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934086
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
3-[(2-tert-butyl-4-methylphenoxy)methyl]-1-methyl-1-phenylurea
CID 108877619

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide (CID 108541189) is N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide is Cc1ccc(OCC(=O)NCCNC(=O)COc2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide?
The InChIKey is FDLHVMAQKFQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-10-11-20(19(14-17)23(2,3)4)29-16-22(27)25-13-12-24-21(26)15-28-18-8-6-5-7-9-18/h5-11,14H,12-13,15-16H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide?
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide has a molecular weight of 398.50 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 108541189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).