N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

C24H28N2O3 — CID 60532837

IUPACN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccco1)c1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H28N2O3/c27-22(25-15-21-5-2-6-29-21)20-4-1-3-16(10-20)14-26-23(28)24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19H,7-9,11-15H2,(H,25,27)(H,26,28)
InChIKeyYYSBTQHDNUBKCI-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.04
Rot. Bonds6

About N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 60532837) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID60532837
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccco1)c1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H28N2O3/c27-22(25-15-21-5-2-6-29-21)20-4-1-3-16(10-20)14-26-23(28)24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19H,7-9,11-15H2,(H,25,27)(H,26,28)
InChIKeyYYSBTQHDNUBKCI-UHFFFAOYSA-N
XLogP4.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
3-[(E)-4-[4-(1-adamantyl)phenoxy]-2-oxobut-3-enyl]-N-(furan-2-ylmethyl)benzamide
CID 157278603
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877912
3-[[[N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111872893
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111940398

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (CID 60532837) is N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is O=C(NCc1ccco1)c1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is YYSBTQHDNUBKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-22(25-15-21-5-2-6-29-21)20-4-1-3-16(10-20)14-26-23(28)24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19H,7-9,11-15H2,(H,25,27)(H,26,28).
What are the key properties of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 60532837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).