N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide

C18H25NO2 — CID 4136679

IUPACN-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCc1ccco1)(C3)C2
InChIInChI=1S/C18H25NO2/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)15(20)19-9-14-4-3-5-21-14/h3-5,13H,6-12H2,1-2H3,(H,19,20)
InChIKeyTZSTVOFUJBCRMP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.89
Rot. Bonds3

About N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide

N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 4136679) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID4136679
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCc1ccco1)(C3)C2
InChIInChI=1S/C18H25NO2/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)15(20)19-9-14-4-3-5-21-14/h3-5,13H,6-12H2,1-2H3,(H,19,20)
InChIKeyTZSTVOFUJBCRMP-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide (CID 4136679) is N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NCc1ccco1)(C3)C2.
What is the InChIKey of N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is TZSTVOFUJBCRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)15(20)19-9-14-4-3-5-21-14/h3-5,13H,6-12H2,1-2H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide?
N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 4136679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).