N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide

C14H16N2O3 — CID 16795647

IUPACN-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
SMILESNc1cccc(NC(=O)CCOCc2ccco2)c1
InChIInChI=1S/C14H16N2O3/c15-11-3-1-4-12(9-11)16-14(17)6-8-18-10-13-5-2-7-19-13/h1-5,7,9H,6,8,10,15H2,(H,16,17)
InChIKeyCKHBMONOQGCUCJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds6

About N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide

N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide (PubChem CID 16795647) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
PubChem CID16795647
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
SMILESNc1cccc(NC(=O)CCOCc2ccco2)c1
InChIInChI=1S/C14H16N2O3/c15-11-3-1-4-12(9-11)16-14(17)6-8-18-10-13-5-2-7-19-13/h1-5,7,9H,6,8,10,15H2,(H,16,17)
InChIKeyCKHBMONOQGCUCJ-UHFFFAOYSA-N
XLogP2.41
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.41
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

N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
CID 28534738
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 55807106

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide (CID 16795647) is N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide is Nc1cccc(NC(=O)CCOCc2ccco2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide?
The InChIKey is CKHBMONOQGCUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-11-3-1-4-12(9-11)16-14(17)6-8-18-10-13-5-2-7-19-13/h1-5,7,9H,6,8,10,15H2,(H,16,17).
What are the key properties of N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide?
N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide has a molecular weight of 260.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide is sourced from PubChem (CID 16795647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).