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

C28H40N2O4 — CID 5014874

IUPAC2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1cc(C(C)(C)C)ccc1OCC(=O)NCCNC(=O)COc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C28H40N2O4/c1-19-15-21(27(3,4)5)9-11-23(19)33-17-25(31)29-13-14-30-26(32)18-34-24-12-10-22(16-20(24)2)28(6,7)8/h9-12,15-16H,13-14,17-18H2,1-8H3,(H,29,31)(H,30,32)
InChIKeySFSCUVMUUZNYFK-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.59
Rot. Bonds9

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

2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 5014874) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID5014874
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1cc(C(C)(C)C)ccc1OCC(=O)NCCNC(=O)COc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C28H40N2O4/c1-19-15-21(27(3,4)5)9-11-23(19)33-17-25(31)29-13-14-30-26(32)18-34-24-12-10-22(16-20(24)2)28(6,7)8/h9-12,15-16H,13-14,17-18H2,1-8H3,(H,29,31)(H,30,32)
InChIKeySFSCUVMUUZNYFK-UHFFFAOYSA-N
XLogP4.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.59
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

2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 43416535
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
1-(4-tert-butyl-2-methylphenoxy)pentan-2-one
CID 62044482
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide (CID 5014874) is 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide is Cc1cc(C(C)(C)C)ccc1OCC(=O)NCCNC(=O)COc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is SFSCUVMUUZNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-19-15-21(27(3,4)5)9-11-23(19)33-17-25(31)29-13-14-30-26(32)18-34-24-12-10-22(16-20(24)2)28(6,7)8/h9-12,15-16H,13-14,17-18H2,1-8H3,(H,29,31)(H,30,32).
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide?
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 468.64 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 5014874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).