N-(2-adamantyl)-2-cyclopentyloxybutanamide

C19H31NO2 — CID 91642709

IUPACN-(2-adamantyl)-2-cyclopentyloxybutanamide
SMILESCCC(OC1CCCC1)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO2/c1-2-17(22-16-5-3-4-6-16)19(21)20-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-18H,2-11H2,1H3,(H,20,21)
InChIKeyFPEARBAKHOJYNE-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.67
Rot. Bonds5

About N-(2-adamantyl)-2-cyclopentyloxybutanamide

N-(2-adamantyl)-2-cyclopentyloxybutanamide (PubChem CID 91642709) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(2-adamantyl)-2-cyclopentyloxybutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-cyclopentyloxybutanamide
PubChem CID91642709
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-(2-adamantyl)-2-cyclopentyloxybutanamide
SMILESCCC(OC1CCCC1)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO2/c1-2-17(22-16-5-3-4-6-16)19(21)20-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-18H,2-11H2,1H3,(H,20,21)
InChIKeyFPEARBAKHOJYNE-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-cyclopentyloxybutanamide?
The IUPAC name of N-(2-adamantyl)-2-cyclopentyloxybutanamide (CID 91642709) is N-(2-adamantyl)-2-cyclopentyloxybutanamide.
What is the SMILES notation for N-(2-adamantyl)-2-cyclopentyloxybutanamide?
The canonical SMILES for N-(2-adamantyl)-2-cyclopentyloxybutanamide is CCC(OC1CCCC1)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-cyclopentyloxybutanamide?
The InChIKey is FPEARBAKHOJYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-17(22-16-5-3-4-6-16)19(21)20-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-18H,2-11H2,1H3,(H,20,21).
What are the key properties of N-(2-adamantyl)-2-cyclopentyloxybutanamide?
N-(2-adamantyl)-2-cyclopentyloxybutanamide has a molecular weight of 305.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-cyclopentyloxybutanamide is sourced from PubChem (CID 91642709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).