N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide

C17H31NO2 — CID 57317167

IUPACN-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide
SMILESC=C[C@@H]1C[C@](CO)(NC(C)=O)C[C@@]1(CC)CCCCC
InChIInChI=1S/C17H31NO2/c1-5-8-9-10-16(7-3)12-17(13-19,18-14(4)20)11-15(16)6-2/h6,15,19H,2,5,7-13H2,1,3-4H3,(H,18,20)/t15-,16-,17+/m1/s1
InChIKeyDVMOSUQLOJNUAQ-ZACQAIPSSA-N
MW281.44 g/mol
LogP3.43
Rot. Bonds8

About N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide

N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide (PubChem CID 57317167) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide
PubChem CID57317167
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide
SMILESC=C[C@@H]1C[C@](CO)(NC(C)=O)C[C@@]1(CC)CCCCC
InChIInChI=1S/C17H31NO2/c1-5-8-9-10-16(7-3)12-17(13-19,18-14(4)20)11-15(16)6-2/h6,15,19H,2,5,7-13H2,1,3-4H3,(H,18,20)/t15-,16-,17+/m1/s1
InChIKeyDVMOSUQLOJNUAQ-ZACQAIPSSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide?
The IUPAC name of N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide (CID 57317167) is N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide?
The canonical SMILES for N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide is C=C[C@@H]1C[C@](CO)(NC(C)=O)C[C@@]1(CC)CCCCC.
What is the InChIKey of N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide?
The InChIKey is DVMOSUQLOJNUAQ-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-8-9-10-16(7-3)12-17(13-19,18-14(4)20)11-15(16)6-2/h6,15,19H,2,5,7-13H2,1,3-4H3,(H,18,20)/t15-,16-,17+/m1/s1.
What are the key properties of N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide?
N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide is sourced from PubChem (CID 57317167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).