N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide

C10H17NO2 — CID 100542229

IUPACN-(cyclohexen-1-ylmethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCC1=CCCCC1
InChIInChI=1S/C10H17NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,11,12)
InChIKeyLGYSKZPLEKRWLI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide

N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide (PubChem CID 100542229) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-methoxyacetamide
PubChem CID100542229
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCC1=CCCCC1
InChIInChI=1S/C10H17NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,11,12)
InChIKeyLGYSKZPLEKRWLI-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
Ethyl {[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}formate
CID 28710174
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 164631132
N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
CID 134817736
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 107486969
2-methoxy-N-[3-methyl-1-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)butyl]acetamide
CID 56708684
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]-2-methoxyacetamide
CID 9885294
2-methoxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 11539464
N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
CID 54380110
2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 72999749
N-(2,3-dimethyldec-2-en-5-yl)-2-methoxyacetamide
CID 89526193

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide (CID 100542229) is N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide is COCC(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide?
The InChIKey is LGYSKZPLEKRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,11,12).
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide?
N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide has a molecular weight of 183.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide is sourced from PubChem (CID 100542229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).