2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide

C17H22N2O2 — CID 106591306

IUPAC2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)C(C)c2cccc(N)c2)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-10-8-16(13(4)21-10)12(3)19-17(20)11(2)14-6-5-7-15(18)9-14/h5-9,11-12H,18H2,1-4H3,(H,19,20)
InChIKeyFJFSPTQFZCHQGZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide

2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide (PubChem CID 106591306) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
PubChem CID106591306
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)C(C)c2cccc(N)c2)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-10-8-16(13(4)21-10)12(3)19-17(20)11(2)14-6-5-7-15(18)9-14/h5-9,11-12H,18H2,1-4H3,(H,19,20)
InChIKeyFJFSPTQFZCHQGZ-UHFFFAOYSA-N
XLogP3.46
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.46
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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368778
methyl 2-[2-(3-aminophenyl)propanoylamino]-3-methylbutanoate
CID 106590886
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide
CID 106591801
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388934
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
2-(3-aminophenyl)propanoate
CID 71650577

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide (CID 106591306) is 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide is Cc1cc(C(C)NC(=O)C(C)c2cccc(N)c2)c(C)o1.
What is the InChIKey of 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
The InChIKey is FJFSPTQFZCHQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-8-16(13(4)21-10)12(3)19-17(20)11(2)14-6-5-7-15(18)9-14/h5-9,11-12H,18H2,1-4H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide is sourced from PubChem (CID 106591306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).