N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide

C17H23NO2 — CID 47006636

IUPACN-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NO2/c1-18(11-15-3-2-4-20-15)16(19)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-11H2,1H3
InChIKeySAVMLGNHQVHYAY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.45
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide

N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide (PubChem CID 47006636) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide
PubChem CID47006636
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NO2/c1-18(11-15-3-2-4-20-15)16(19)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-11H2,1H3
InChIKeySAVMLGNHQVHYAY-UHFFFAOYSA-N
XLogP3.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide (CID 47006636) is N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide is CN(Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide?
The InChIKey is SAVMLGNHQVHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(11-15-3-2-4-20-15)16(19)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide?
N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 47006636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).