N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide

C16H27NO2 — CID 47300282

IUPACN-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-10(19-3)15(18)17-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyXIDRRYSKXHTLAZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide

N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide (PubChem CID 47300282) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
PubChem CID47300282
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-10(19-3)15(18)17-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyXIDRRYSKXHTLAZ-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)propanamide
CID 7929464
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
4-[1-(1-adamantyl)ethylamino]-3-amino-4-oxobutanoic acid
CID 64896630
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-2-(4-cyanophenoxy)propanamide
CID 55329308
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 7929494
N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
CID 7741613
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide (CID 47300282) is N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide is COC(C)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide?
The InChIKey is XIDRRYSKXHTLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10(19-3)15(18)17-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide?
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide has a molecular weight of 265.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide is sourced from PubChem (CID 47300282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).