N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide

C17H18N2O2 — CID 107578437

IUPACN-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide
SMILESCc1cc(C#CCN)cc(NC(=O)CCc2ccco2)c1
InChIInChI=1S/C17H18N2O2/c1-13-10-14(4-2-8-18)12-15(11-13)19-17(20)7-6-16-5-3-9-21-16/h3,5,9-12H,6-8,18H2,1H3,(H,19,20)
InChIKeyVYZJUUFTZRHJPF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.47
Rot. Bonds4

About N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide

N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide (PubChem CID 107578437) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide
PubChem CID107578437
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide
SMILESCc1cc(C#CCN)cc(NC(=O)CCc2ccco2)c1
InChIInChI=1S/C17H18N2O2/c1-13-10-14(4-2-8-18)12-15(11-13)19-17(20)7-6-16-5-3-9-21-16/h3,5,9-12H,6-8,18H2,1H3,(H,19,20)
InChIKeyVYZJUUFTZRHJPF-UHFFFAOYSA-N
XLogP2.47
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(furan-2-yl)propanamide
CID 60814390
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(furan-2-yl)propanamide
CID 104780887
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 107578597
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide
CID 107578510
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-2-ethoxyacetamide
CID 107578672
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60802956
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]oxane-4-carboxamide
CID 107578525
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(furan-2-yl)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60630108
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide (CID 107578437) is N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide is Cc1cc(C#CCN)cc(NC(=O)CCc2ccco2)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide?
The InChIKey is VYZJUUFTZRHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-10-14(4-2-8-18)12-15(11-13)19-17(20)7-6-16-5-3-9-21-16/h3,5,9-12H,6-8,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide?
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide has a molecular weight of 282.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 107578437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).