2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide

C15H21NO2 — CID 110769385

IUPAC2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H21NO2/c1-5-8-16-15(17)10-13-7-6-12(11(2)3)9-14(13)18-4/h5-7,9,11H,1,8,10H2,2-4H3,(H,16,17)
InChIKeyIIRWYJMNCVMRLH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds6

About 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide

2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide (PubChem CID 110769385) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
PubChem CID110769385
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H21NO2/c1-5-8-16-15(17)10-13-7-6-12(11(2)3)9-14(13)18-4/h5-7,9,11H,1,8,10H2,2-4H3,(H,16,17)
InChIKeyIIRWYJMNCVMRLH-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 110769403
2-(2-bromo-4,5-dimethoxyphenyl)-N-prop-2-enylacetamide
CID 9207575
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110794193
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide (CID 110769385) is 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1ccc(C(C)C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide?
The InChIKey is IIRWYJMNCVMRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-8-16-15(17)10-13-7-6-12(11(2)3)9-14(13)18-4/h5-7,9,11H,1,8,10H2,2-4H3,(H,16,17).
What are the key properties of 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide?
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 110769385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).