5-amino-N-(1-phenylethyl)furan-2-carboxamide

C13H14N2O2 — CID 82344125

IUPAC5-amino-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(N)o1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h2-9H,14H2,1H3,(H,15,16)
InChIKeyNAWSRLYPKOYHOB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.35
Rot. Bonds3

About 5-amino-N-(1-phenylethyl)furan-2-carboxamide

5-amino-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 82344125) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-amino-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID82344125
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-amino-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(N)o1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h2-9H,14H2,1H3,(H,15,16)
InChIKeyNAWSRLYPKOYHOB-UHFFFAOYSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
4-methyl-N-(1-phenylethyl)furan-2-carboxamide
CID 110850967
5-(cyclopropylsulfamoyl)-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39878014
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402
N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
CID 96586898
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(1-phenylethyl)furan-2-carboxamide (CID 82344125) is 5-amino-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-phenylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(N)o1)c1ccccc1.
What is the InChIKey of 5-amino-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is NAWSRLYPKOYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h2-9H,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(1-phenylethyl)furan-2-carboxamide?
5-amino-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 82344125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).