N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide

C12H19NO2 — CID 146088479

IUPACN-[(1-ethoxycyclopentyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(OCC)CCCC1
InChIInChI=1S/C12H19NO2/c1-3-7-11(14)13-10-12(15-4-2)8-5-6-9-12/h4-6,8-10H2,1-2H3,(H,13,14)
InChIKeySPZOKQMDQLNMSC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.48
Rot. Bonds4

About N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide

N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide (PubChem CID 146088479) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)methyl]but-2-ynamide
PubChem CID146088479
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(1-ethoxycyclopentyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(OCC)CCCC1
InChIInChI=1S/C12H19NO2/c1-3-7-11(14)13-10-12(15-4-2)8-5-6-9-12/h4-6,8-10H2,1-2H3,(H,13,14)
InChIKeySPZOKQMDQLNMSC-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(but-2-ynoylamino)methyl]cyclobutane-1-carboxylic acid
CID 107986927
N-[[2-(methoxymethyl)oxolan-2-yl]methyl]but-2-ynamide
CID 146105886
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]but-2-ynamide
CID 126991935
1-[(1-ethoxycyclopentyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123962
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
1-ethoxy-1-propylcyclohexane
CID 154221474
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
4-(methoxymethyl)-N-[(1-propoxycyclohexyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120638673
N-[(1-methoxycyclobutyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 103993337
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide?
The IUPAC name of N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide (CID 146088479) is N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide?
The canonical SMILES for N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide is CC#CC(=O)NCC1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide?
The InChIKey is SPZOKQMDQLNMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-7-11(14)13-10-12(15-4-2)8-5-6-9-12/h4-6,8-10H2,1-2H3,(H,13,14).
What are the key properties of N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide?
N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide has a molecular weight of 209.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)methyl]but-2-ynamide is sourced from PubChem (CID 146088479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).