2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide

C22H29NO3 — CID 110407721

IUPAC2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-22(2,3)19-10-6-17(7-11-19)18-8-12-20(13-9-18)26-16-21(24)23-14-5-15-25-4/h6-13H,5,14-16H2,1-4H3,(H,23,24)
InChIKeyJLYVLVZJRRTHGP-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.18
Rot. Bonds8

About 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide

2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 110407721) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID110407721
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-22(2,3)19-10-6-17(7-11-19)18-8-12-20(13-9-18)26-16-21(24)23-14-5-15-25-4/h6-13H,5,14-16H2,1-4H3,(H,23,24)
InChIKeyJLYVLVZJRRTHGP-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide
CID 6068548
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174747
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
N-[2-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide (CID 110407721) is 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is JLYVLVZJRRTHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-22(2,3)19-10-6-17(7-11-19)18-8-12-20(13-9-18)26-16-21(24)23-14-5-15-25-4/h6-13H,5,14-16H2,1-4H3,(H,23,24).
What are the key properties of 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide?
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110407721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).