N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide

C17H23NO3 — CID 122223622

IUPACN-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide
SMILESCCO[C@H]1[C@H](NC(=O)Cc2ccccc2)C=C[C@H]1OCC
InChIInChI=1S/C17H23NO3/c1-3-20-15-11-10-14(17(15)21-4-2)18-16(19)12-13-8-6-5-7-9-13/h5-11,14-15,17H,3-4,12H2,1-2H3,(H,18,19)/t14-,15-,17+/m1/s1
InChIKeyWOJKQLVMPSPSIY-INMHGKMJSA-N
MW289.37 g/mol
LogP2.09
Rot. Bonds7

About N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide

N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide (PubChem CID 122223622) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide
PubChem CID122223622
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide
SMILESCCO[C@H]1[C@H](NC(=O)Cc2ccccc2)C=C[C@H]1OCC
InChIInChI=1S/C17H23NO3/c1-3-20-15-11-10-14(17(15)21-4-2)18-16(19)12-13-8-6-5-7-9-13/h5-11,14-15,17H,3-4,12H2,1-2H3,(H,18,19)/t14-,15-,17+/m1/s1
InChIKeyWOJKQLVMPSPSIY-INMHGKMJSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
CID 102505387
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
CID 164918158
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
CID 144547081
ethyl 2-phenylacetate
CID 7590
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-ethoxy-2,2-dimethyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120699633

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide?
The IUPAC name of N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide (CID 122223622) is N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide is CCO[C@H]1[C@H](NC(=O)Cc2ccccc2)C=C[C@H]1OCC.
What is the InChIKey of N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide?
The InChIKey is WOJKQLVMPSPSIY-INMHGKMJSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-20-15-11-10-14(17(15)21-4-2)18-16(19)12-13-8-6-5-7-9-13/h5-11,14-15,17H,3-4,12H2,1-2H3,(H,18,19)/t14-,15-,17+/m1/s1.
What are the key properties of N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide?
N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide has a molecular weight of 289.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide is sourced from PubChem (CID 122223622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).