N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide

C14H28N2O2 — CID 81393093

IUPACN-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(13-7-5-3-4-6-8-13)16-14(17)11-15-9-10-18-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyPYYYZGURAYHMAS-GFCCVEGCSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds7

About N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide

N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 81393093) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
PubChem CID81393093
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(13-7-5-3-4-6-8-13)16-14(17)11-15-9-10-18-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyPYYYZGURAYHMAS-GFCCVEGCSA-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

N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
CID 81393460
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119784608
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 129429061
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide (CID 81393093) is N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is PYYYZGURAYHMAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(13-7-5-3-4-6-8-13)16-14(17)11-15-9-10-18-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide?
N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)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 N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 81393093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).