N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide

C17H31NO2 — CID 91297261

IUPACN-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
SMILESC=C[C@H]1C[C@H](CO)C[C@@H]1[C@H](CC(CC)CC)NC(C)=O
InChIInChI=1S/C17H31NO2/c1-5-13(6-2)10-17(18-12(4)20)16-9-14(11-19)8-15(16)7-3/h7,13-17,19H,3,5-6,8-11H2,1-2,4H3,(H,18,20)/t14-,15-,16-,17-/m0/s1
InChIKeyYZSGTSMNHREIMS-QAETUUGQSA-N
MW281.44 g/mol
LogP3.14
Rot. Bonds8

About N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide

N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide (PubChem CID 91297261) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
PubChem CID91297261
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
SMILESC=C[C@H]1C[C@H](CO)C[C@@H]1[C@H](CC(CC)CC)NC(C)=O
InChIInChI=1S/C17H31NO2/c1-5-13(6-2)10-17(18-12(4)20)16-9-14(11-19)8-15(16)7-3/h7,13-17,19H,3,5-6,8-11H2,1-2,4H3,(H,18,20)/t14-,15-,16-,17-/m0/s1
InChIKeyYZSGTSMNHREIMS-QAETUUGQSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide (CID 91297261) is N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide is C=C[C@H]1C[C@H](CO)C[C@@H]1[C@H](CC(CC)CC)NC(C)=O.
What is the InChIKey of N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The InChIKey is YZSGTSMNHREIMS-QAETUUGQSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-13(6-2)10-17(18-12(4)20)16-9-14(11-19)8-15(16)7-3/h7,13-17,19H,3,5-6,8-11H2,1-2,4H3,(H,18,20)/t14-,15-,16-,17-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2R,4S)-2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide is sourced from PubChem (CID 91297261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).