2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide

C15H22N2O2 — CID 54813857

IUPAC2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-5-10-19-13-9-7-6-8-12(13)17-14(18)11-16-15(2,3)4/h5-9,16H,1,10-11H2,2-4H3,(H,17,18)
InChIKeyNTYRCXKHRVGWBX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds6

About 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide

2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54813857) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54813857
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-5-10-19-13-9-7-6-8-12(13)17-14(18)11-16-15(2,3)4/h5-9,16H,1,10-11H2,2-4H3,(H,17,18)
InChIKeyNTYRCXKHRVGWBX-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54817694
2-(2-fluoroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54818330
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54819132
2-(4-methoxyphenyl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097941
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
CID 89224365

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide (CID 54813857) is 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is NTYRCXKHRVGWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10-19-13-9-7-6-8-12(13)17-14(18)11-16-15(2,3)4/h5-9,16H,1,10-11H2,2-4H3,(H,17,18).
What are the key properties of 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54813857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).