3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide

C15H18N2O2 — CID 43664678

IUPAC3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
SMILESCc1ccc(C(C)NCc2cccc(C(N)=O)c2)o1
InChIInChI=1S/C15H18N2O2/c1-10-6-7-14(19-10)11(2)17-9-12-4-3-5-13(8-12)15(16)18/h3-8,11,17H,9H2,1-2H3,(H2,16,18)
InChIKeyIYZNDQOUWMVMKX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.54
Rot. Bonds5

About 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide

3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide (PubChem CID 43664678) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
PubChem CID43664678
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
SMILESCc1ccc(C(C)NCc2cccc(C(N)=O)c2)o1
InChIInChI=1S/C15H18N2O2/c1-10-6-7-14(19-10)11(2)17-9-12-4-3-5-13(8-12)15(16)18/h3-8,11,17H,9H2,1-2H3,(H2,16,18)
InChIKeyIYZNDQOUWMVMKX-UHFFFAOYSA-N
XLogP2.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
CID 43222033
[3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]methanol
CID 113261251
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide (CID 43664678) is 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide is Cc1ccc(C(C)NCc2cccc(C(N)=O)c2)o1.
What is the InChIKey of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide?
The InChIKey is IYZNDQOUWMVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-6-7-14(19-10)11(2)17-9-12-4-3-5-13(8-12)15(16)18/h3-8,11,17H,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide?
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43664678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).