2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide

C12H24N2O3 — CID 62522217

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1(CO)CCCCC1
InChIInChI=1S/C12H24N2O3/c1-17-8-7-13-11(16)9-14-12(10-15)5-3-2-4-6-12/h14-15H,2-10H2,1H3,(H,13,16)
InChIKeyWUHZBEXBJICTTN-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.03
Rot. Bonds7

About 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide

2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 62522217) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID62522217
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1(CO)CCCCC1
InChIInChI=1S/C12H24N2O3/c1-17-8-7-13-11(16)9-14-12(10-15)5-3-2-4-6-12/h14-15H,2-10H2,1H3,(H,13,16)
InChIKeyWUHZBEXBJICTTN-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2-methoxyethyl)acetamide
CID 62518640
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 62522420
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
[1-(2-ethoxyethylamino)cyclohexyl]methanol
CID 62521886

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide (CID 62522217) is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is WUHZBEXBJICTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-17-8-7-13-11(16)9-14-12(10-15)5-3-2-4-6-12/h14-15H,2-10H2,1H3,(H,13,16).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide?
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62522217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).