2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide

C14H20N2O2 — CID 54817694

IUPAC2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C14H20N2O2/c1-4-9-18-13-8-6-5-7-12(13)16-14(17)10-15-11(2)3/h4-8,11,15H,1,9-10H2,2-3H3,(H,16,17)
InChIKeyCSKWUTPOSAJCQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds7

About 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide

2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54817694) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54817694
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C14H20N2O2/c1-4-9-18-13-8-6-5-7-12(13)16-14(17)10-15-11(2)3/h4-8,11,15H,1,9-10H2,2-3H3,(H,16,17)
InChIKeyCSKWUTPOSAJCQS-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.19
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

1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
CID 89224365
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
2-(2-fluoroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54818330
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
2-(4-methoxyphenyl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097941
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide (CID 54817694) is 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is CSKWUTPOSAJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-18-13-8-6-5-7-12(13)16-14(17)10-15-11(2)3/h4-8,11,15H,1,9-10H2,2-3H3,(H,16,17).
What are the key properties of 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).