N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C24H29NO4 — CID 19467608

IUPACN-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C24H29NO4/c1-27-20-4-2-3-5-21(20)28-14-19-6-7-22(29-19)23(26)25-15-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18H,8-15H2,1H3,(H,25,26)
InChIKeyRFCYURVGLINHIF-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.81
Rot. Bonds7

About N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19467608) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19467608
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC NameN-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C24H29NO4/c1-27-20-4-2-3-5-21(20)28-14-19-6-7-22(29-19)23(26)25-15-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18H,8-15H2,1H3,(H,25,26)
InChIKeyRFCYURVGLINHIF-UHFFFAOYSA-N
XLogP4.81
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19467608) is N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is RFCYURVGLINHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-27-20-4-2-3-5-21(20)28-14-19-6-7-22(29-19)23(26)25-15-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18H,8-15H2,1H3,(H,25,26).
What are the key properties of N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).