N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide

C20H25NO2 — CID 100521099

IUPACN-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
SMILESCCc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-17-11-13-18(14-12-17)16(2)21-20(22)10-7-15-23-19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyRAESANGMOLSPLH-MRXNPFEDSA-N
MW311.43 g/mol
LogP4.29
Rot. Bonds8

About N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide (PubChem CID 100521099) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
PubChem CID100521099
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
SMILESCCc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-17-11-13-18(14-12-17)16(2)21-20(22)10-7-15-23-19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyRAESANGMOLSPLH-MRXNPFEDSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 112762237
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
4-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
(2S,3S)-3-methyl-2-(4-phenoxybutanoylamino)pentanoic acid
CID 61138065
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide (CID 100521099) is N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide is CCc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide?
The InChIKey is RAESANGMOLSPLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-17-11-13-18(14-12-17)16(2)21-20(22)10-7-15-23-19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide?
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 100521099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).