N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide

C20H24N2O3 — CID 54821181

IUPACN-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-13-24-17-11-9-16(10-12-17)21-14-20(23)22-18-7-5-6-8-19(18)25-15(2)3/h4-12,15,21H,1,13-14H2,2-3H3,(H,22,23)
InChIKeyOWPVGKNACVFTFB-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.09
Rot. Bonds9

About N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821181) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821181
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-13-24-17-11-9-16(10-12-17)21-14-20(23)22-18-7-5-6-8-19(18)25-15(2)3/h4-12,15,21H,1,13-14H2,2-3H3,(H,22,23)
InChIKeyOWPVGKNACVFTFB-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54822042
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821181) is N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is OWPVGKNACVFTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-13-24-17-11-9-16(10-12-17)21-14-20(23)22-18-7-5-6-8-19(18)25-15(2)3/h4-12,15,21H,1,13-14H2,2-3H3,(H,22,23).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).