3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide

C16H20N2O3 — CID 60976249

IUPAC3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c17-16(19)14-5-1-4-13(10-14)11-18-7-3-8-20-12-15-6-2-9-21-15/h1-2,4-6,9-10,18H,3,7-8,11-12H2,(H2,17,19)
InChIKeyDTFZJWIUNGDPSI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds9

About 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide

3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide (PubChem CID 60976249) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
PubChem CID60976249
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c17-16(19)14-5-1-4-13(10-14)11-18-7-3-8-20-12-15-6-2-9-21-15/h1-2,4-6,9-10,18H,3,7-8,11-12H2,(H2,17,19)
InChIKeyDTFZJWIUNGDPSI-UHFFFAOYSA-N
XLogP2.08
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 103992655
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-ethyl-3-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111399433
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111398965
N-ethyl-3-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111399432
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide?
The IUPAC name of 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide (CID 60976249) is 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide.
What is the SMILES notation for 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide?
The canonical SMILES for 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide is NC(=O)c1cccc(CNCCCOCc2ccco2)c1.
What is the InChIKey of 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide?
The InChIKey is DTFZJWIUNGDPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-16(19)14-5-1-4-13(10-14)11-18-7-3-8-20-12-15-6-2-9-21-15/h1-2,4-6,9-10,18H,3,7-8,11-12H2,(H2,17,19).
What are the key properties of 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide?
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide is sourced from PubChem (CID 60976249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).