3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide

C16H23NO2 — CID 47210467

IUPAC3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide
SMILESCC(C)=CC(=O)NC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H23NO2/c1-11(2)9-16(18)17-13(5)14-7-6-8-15(10-14)19-12(3)4/h6-10,12-13H,1-5H3,(H,17,18)
InChIKeyRLDGWJKVNBYQDK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.62
Rot. Bonds5

About 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide

3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide (PubChem CID 47210467) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide
PubChem CID47210467
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide
SMILESCC(C)=CC(=O)NC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H23NO2/c1-11(2)9-16(18)17-13(5)14-7-6-8-15(10-14)19-12(3)4/h6-10,12-13H,1-5H3,(H,17,18)
InChIKeyRLDGWJKVNBYQDK-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.62
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

N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
1,2-dimethyl-3-[1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 51131497
1,2-dimethyl-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 52516530
3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide (CID 47210467) is 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide is CC(C)=CC(=O)NC(C)c1cccc(OC(C)C)c1.
What is the InChIKey of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide?
The InChIKey is RLDGWJKVNBYQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)9-16(18)17-13(5)14-7-6-8-15(10-14)19-12(3)4/h6-10,12-13H,1-5H3,(H,17,18).
What are the key properties of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide?
3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide is sourced from PubChem (CID 47210467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).