N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C17H31ClN2O2 — CID 119675316

IUPACN-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H30N2O2.ClH/c1-12(19-16(20)11-18-3-4-21-2)17-8-13-5-14(9-17)7-15(6-13)10-17;/h12-15,18H,3-11H2,1-2H3,(H,19,20);1H
InChIKeyPMVGXKYSWNNUNF-UHFFFAOYSA-N
MW330.90 g/mol
LogP2.37
Rot. Bonds7

About N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119675316) has the molecular formula C17H31ClN2O2 and a molecular weight of 330.90 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119675316
Molecular FormulaC17H31ClN2O2
Molecular Weight330.90 g/mol
Exact Mass330.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H30N2O2.ClH/c1-12(19-16(20)11-18-3-4-21-2)17-8-13-5-14(9-17)7-15(6-13)10-17;/h12-15,18H,3-11H2,1-2H3,(H,19,20);1H
InChIKeyPMVGXKYSWNNUNF-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 52.37
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

1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 2941897
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119784608
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 129429061
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(2-methoxyethylamino)prop-2-enamide
CID 108842479
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569418

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119675316) is N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is PMVGXKYSWNNUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2.ClH/c1-12(19-16(20)11-18-3-4-21-2)17-8-13-5-14(9-17)7-15(6-13)10-17;/h12-15,18H,3-11H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119675316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).