2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide

C14H28N2O2 — CID 81392388

IUPAC2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(13-7-5-3-4-6-8-13)16-11-14(17)15-9-10-18-2/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyHSSFLIUQDVMHBK-LBPRGKRZSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds7

About 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide

2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 81392388) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID81392388
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(13-7-5-3-4-6-8-13)16-11-14(17)15-9-10-18-2/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyHSSFLIUQDVMHBK-LBPRGKRZSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
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

3-(1-cyclopentylethylamino)-N-(2-methoxyethyl)propanamide
CID 112700250
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-[[(1S)-1-cyclopentylethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81394863
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
CID 81393093
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 113242883

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide (CID 81392388) is 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN[C@@H](C)C1CCCCCC1.
What is the InChIKey of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is HSSFLIUQDVMHBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(13-7-5-3-4-6-8-13)16-11-14(17)15-9-10-18-2/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide?
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81392388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).