N-(1-adamantyl)-2-ethylbutanamide

C16H27NO — CID 2897926

IUPACN-(1-adamantyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-3-14(4-2)15(18)17-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyPRXRKTXCYHVHKI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds4

About N-(1-adamantyl)-2-ethylbutanamide

N-(1-adamantyl)-2-ethylbutanamide (PubChem CID 2897926) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(1-adamantyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-ethylbutanamide
PubChem CID2897926
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(1-adamantyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-3-14(4-2)15(18)17-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyPRXRKTXCYHVHKI-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-ethylbutanamide?
The IUPAC name of N-(1-adamantyl)-2-ethylbutanamide (CID 2897926) is N-(1-adamantyl)-2-ethylbutanamide.
What is the SMILES notation for N-(1-adamantyl)-2-ethylbutanamide?
The canonical SMILES for N-(1-adamantyl)-2-ethylbutanamide is CCC(CC)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-ethylbutanamide?
The InChIKey is PRXRKTXCYHVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-14(4-2)15(18)17-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-adamantyl)-2-ethylbutanamide?
N-(1-adamantyl)-2-ethylbutanamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-ethylbutanamide is sourced from PubChem (CID 2897926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).