N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide

C15H26N2O — CID 119679471

IUPACN-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-16-10-14(18)17-3-2-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyBJOGVWVFPNXVES-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide

N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide (PubChem CID 119679471) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide
PubChem CID119679471
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-16-10-14(18)17-3-2-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyBJOGVWVFPNXVES-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide (CID 119679471) is N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide?
The InChIKey is BJOGVWVFPNXVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-10-14(18)17-3-2-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,2-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide?
N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide has a molecular weight of 250.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119679471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).