2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide

C16H30N2O3 — CID 120787402

IUPAC2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide
SMILESCC1CCCCC1OCCNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-12-4-2-3-5-14(12)21-11-8-18-16(19)15(17)13-6-9-20-10-7-13/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyFRIWMYMGQDWZTM-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120787402) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide
PubChem CID120787402
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide
SMILESCC1CCCCC1OCCNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-12-4-2-3-5-14(12)21-11-8-18-16(19)15(17)13-6-9-20-10-7-13/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyFRIWMYMGQDWZTM-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
CID 119723107
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 129421266
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide (CID 120787402) is 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide is CC1CCCCC1OCCNC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is FRIWMYMGQDWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-4-2-3-5-14(12)21-11-8-18-16(19)15(17)13-6-9-20-10-7-13/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120787402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).