3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide

C15H18N2O3 — CID 61275519

IUPAC3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCOCc2ccco2)c1
InChIInChI=1S/C15H18N2O3/c16-13-5-1-4-12(10-13)15(18)17-7-3-8-19-11-14-6-2-9-20-14/h1-2,4-6,9-10H,3,7-8,11,16H2,(H,17,18)
InChIKeyPWRMLOVBQRFRSD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.20
Rot. Bonds7

About 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide

3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide (PubChem CID 61275519) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
PubChem CID61275519
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCOCc2ccco2)c1
InChIInChI=1S/C15H18N2O3/c16-13-5-1-4-12(10-13)15(18)17-7-3-8-19-11-14-6-2-9-20-14/h1-2,4-6,9-10H,3,7-8,11,16H2,(H,17,18)
InChIKeyPWRMLOVBQRFRSD-UHFFFAOYSA-N
XLogP2.20
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[2-[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111398405
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
5-bromo-N-[3-[3-(furan-2-ylmethoxy)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55794211
3-[[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111400036
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
N-ethyl-3-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111399433
N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
CID 16795647
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide (CID 61275519) is 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide is Nc1cccc(C(=O)NCCCOCc2ccco2)c1.
What is the InChIKey of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The InChIKey is PWRMLOVBQRFRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-13-5-1-4-12(10-13)15(18)17-7-3-8-19-11-14-6-2-9-20-14/h1-2,4-6,9-10H,3,7-8,11,16H2,(H,17,18).
What are the key properties of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 61275519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).