N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide

C19H24N2O2 — CID 46554715

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1ccoc1)C1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-21(17-8-3-2-4-9-17)13-15-7-5-6-10-18(15)20-19(22)16-11-12-23-14-16/h5-7,10-12,14,17H,2-4,8-9,13H2,1H3,(H,20,22)
InChIKeyZNCQTHBOHPVZLK-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.30
Rot. Bonds5

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide (PubChem CID 46554715) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
PubChem CID46554715
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1ccoc1)C1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-21(17-8-3-2-4-9-17)13-15-7-5-6-10-18(15)20-19(22)16-11-12-23-14-16/h5-7,10-12,14,17H,2-4,8-9,13H2,1H3,(H,20,22)
InChIKeyZNCQTHBOHPVZLK-UHFFFAOYSA-N
XLogP4.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide (CID 46554715) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide is CN(Cc1ccccc1NC(=O)c1ccoc1)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide?
The InChIKey is ZNCQTHBOHPVZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(17-8-3-2-4-9-17)13-15-7-5-6-10-18(15)20-19(22)16-11-12-23-14-16/h5-7,10-12,14,17H,2-4,8-9,13H2,1H3,(H,20,22).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 46554715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).