N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide

C18H25NO2 — CID 3150889

IUPACN-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO2/c1-11-16(3-4-21-11)17(20)19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,12-15H,5-10H2,1-2H3,(H,19,20)
InChIKeyWAMNFHDTSSZYSM-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.92
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide

N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 3150889) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide
PubChem CID3150889
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO2/c1-11-16(3-4-21-11)17(20)19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,12-15H,5-10H2,1-2H3,(H,19,20)
InChIKeyWAMNFHDTSSZYSM-UHFFFAOYSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide (CID 3150889) is N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is WAMNFHDTSSZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11-16(3-4-21-11)17(20)19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,12-15H,5-10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.92, 3 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-methylfuran-3-carboxamide is sourced from PubChem (CID 3150889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).