N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide

C12H24N2O2 — CID 99850036

IUPACN-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide
SMILESCC[C@H]1CCC[C@@H]1NC(=O)CNCCOC
InChIInChI=1S/C12H24N2O2/c1-3-10-5-4-6-11(10)14-12(15)9-13-7-8-16-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyHETQXFJWRTVRJX-QWRGUYRKSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide

N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 99850036) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide
PubChem CID99850036
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide
SMILESCC[C@H]1CCC[C@@H]1NC(=O)CNCCOC
InChIInChI=1S/C12H24N2O2/c1-3-10-5-4-6-11(10)14-12(15)9-13-7-8-16-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyHETQXFJWRTVRJX-QWRGUYRKSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylcyclohexyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119732978
N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide
CID 119808963
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
CID 79282045
N-(2-ethylcyclopentyl)acetamide
CID 130891213
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119743684
N-(1-cyclopentylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide
CID 119846699
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097
2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79290747
N-cyclopropyl-3-[(2-ethylcyclopentyl)amino]propanamide
CID 115714181
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide (CID 99850036) is N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide is CC[C@H]1CCC[C@@H]1NC(=O)CNCCOC.
What is the InChIKey of N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is HETQXFJWRTVRJX-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10-5-4-6-11(10)14-12(15)9-13-7-8-16-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide?
N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 99850036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).