N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide

C15H21NO2 — CID 95157068

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C=C(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-5-18-14-8-6-13(7-9-14)12(4)16-15(17)10-11(2)3/h6-10,12H,5H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyGTCHRYIHWCOIJJ-GFCCVEGCSA-N
MW247.34 g/mol
LogP3.23
Rot. Bonds5

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide (PubChem CID 95157068) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
PubChem CID95157068
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C=C(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-5-18-14-8-6-13(7-9-14)12(4)16-15(17)10-11(2)3/h6-10,12H,5H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyGTCHRYIHWCOIJJ-GFCCVEGCSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 30384346
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 24612777
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]but-2-enamide
CID 67417518

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide (CID 95157068) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide is CCOc1ccc([C@@H](C)NC(=O)C=C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide?
The InChIKey is GTCHRYIHWCOIJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-18-14-8-6-13(7-9-14)12(4)16-15(17)10-11(2)3/h6-10,12H,5H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide is sourced from PubChem (CID 95157068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).