2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide

C16H23NO3 — CID 111479112

IUPAC2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
SMILESCc1cc(C(C)(O)CNC(=O)CC2C=CCC2)c(C)o1
InChIInChI=1S/C16H23NO3/c1-11-8-14(12(2)20-11)16(3,19)10-17-15(18)9-13-6-4-5-7-13/h4,6,8,13,19H,5,7,9-10H2,1-3H3,(H,17,18)
InChIKeyAEIPLMOBNIMCFC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide (PubChem CID 111479112) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
PubChem CID111479112
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
SMILESCc1cc(C(C)(O)CNC(=O)CC2C=CCC2)c(C)o1
InChIInChI=1S/C16H23NO3/c1-11-8-14(12(2)20-11)16(3,19)10-17-15(18)9-13-6-4-5-7-13/h4,6,8,13,19H,5,7,9-10H2,1-3H3,(H,17,18)
InChIKeyAEIPLMOBNIMCFC-UHFFFAOYSA-N
XLogP2.58
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 111467688
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113826
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
CID 96570436
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 111755766
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111479018
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 96567175

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide (CID 111479112) is 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide is Cc1cc(C(C)(O)CNC(=O)CC2C=CCC2)c(C)o1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
The InChIKey is AEIPLMOBNIMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-8-14(12(2)20-11)16(3,19)10-17-15(18)9-13-6-4-5-7-13/h4,6,8,13,19H,5,7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 111479112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).