N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide

C17H23NO3 — CID 111696739

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C17H23NO3/c1-12(2)21-16-5-3-4-13(9-16)10-17(20)18-15-7-6-14(8-15)11-19/h3-7,9,12,14-15,19H,8,10-11H2,1-2H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyQRAAUDXYCABSLM-LSDHHAIUSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds6

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 111696739) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID111696739
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C17H23NO3/c1-12(2)21-16-5-3-4-13(9-16)10-17(20)18-15-7-6-14(8-15)11-19/h3-7,9,12,14-15,19H,8,10-11H2,1-2H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyQRAAUDXYCABSLM-LSDHHAIUSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.07
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

(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
CID 111972017
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
CID 111661356
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 111661488
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 120574067
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630600

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide (CID 111696739) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is QRAAUDXYCABSLM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)21-16-5-3-4-13(9-16)10-17(20)18-15-7-6-14(8-15)11-19/h3-7,9,12,14-15,19H,8,10-11H2,1-2H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 111696739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).