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

C17H31NO2 — CID 70029573

IUPACN-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
SMILESC=CC1CC(CO)CC1C(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)
InChIKeyYZSGTSMNHREIMS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.14
Rot. Bonds8

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

N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide (PubChem CID 70029573) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
PubChem CID70029573
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
SMILESC=CC1CC(CO)CC1C(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)
InChIKeyYZSGTSMNHREIMS-UHFFFAOYSA-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-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The IUPAC name of N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide (CID 70029573) is N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide.
What is the SMILES notation for N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The canonical SMILES for N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide is C=CC1CC(CO)CC1C(CC(CC)CC)NC(C)=O.
What is the InChIKey of N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The InChIKey is YZSGTSMNHREIMS-UHFFFAOYSA-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).
What are the key properties of N-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
N-[1-[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-[1-[2-ethenyl-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide is sourced from PubChem (CID 70029573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).