3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C14H16N2O2 — CID 43703392

IUPAC3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N)c2)o1
InChIInChI=1S/C14H16N2O2/c1-9-6-7-13(18-9)10(2)16-14(17)11-4-3-5-12(15)8-11/h3-8,10H,15H2,1-2H3,(H,16,17)
InChIKeyABZXLHPARVEQCO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 43703392) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID43703392
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N)c2)o1
InChIInChI=1S/C14H16N2O2/c1-9-6-7-13(18-9)10(2)16-14(17)11-4-3-5-12(15)8-11/h3-8,10H,15H2,1-2H3,(H,16,17)
InChIKeyABZXLHPARVEQCO-UHFFFAOYSA-N
XLogP2.66
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46411199
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 61138958
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61141048
3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 78836869
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 43703392) is 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cccc(N)c2)o1.
What is the InChIKey of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is ABZXLHPARVEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-6-7-13(18-9)10(2)16-14(17)11-4-3-5-12(15)8-11/h3-8,10H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 43703392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).