N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide

C14H23NO2 — CID 90741995

IUPACN-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCOCC1CCCC1CC
InChIInChI=1S/C14H23NO2/c1-3-6-14(16)15-9-10-17-11-13-8-5-7-12(13)4-2/h12-13H,4-5,7-11H2,1-2H3,(H,15,16)
InChIKeyWGWLNUFEXHKVHL-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.97
Rot. Bonds6

About N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide

N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide (PubChem CID 90741995) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide
PubChem CID90741995
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCOCC1CCCC1CC
InChIInChI=1S/C14H23NO2/c1-3-6-14(16)15-9-10-17-11-13-8-5-7-12(13)4-2/h12-13H,4-5,7-11H2,1-2H3,(H,15,16)
InChIKeyWGWLNUFEXHKVHL-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
CID 107989485
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713
2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
CID 114098052
N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide
CID 106123398
carbonic acid;1,2-diethylcyclohexane
CID 70579518
3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
1-(2-ethylcyclohexyl)propan-2-one
CID 79429645
tert-butyl N-[3-(but-2-ynoylamino)propyl]carbamate
CID 178120004
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
methyl 3-[[2-(aminomethyl)cyclohexyl]methoxy]propanoate
CID 106940266
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 114097955

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide?
The IUPAC name of N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide (CID 90741995) is N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide.
What is the SMILES notation for N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide?
The canonical SMILES for N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide is CC#CC(=O)NCCOCC1CCCC1CC.
What is the InChIKey of N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide?
The InChIKey is WGWLNUFEXHKVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-6-14(16)15-9-10-17-11-13-8-5-7-12(13)4-2/h12-13H,4-5,7-11H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide?
N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide has a molecular weight of 237.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide is sourced from PubChem (CID 90741995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).