5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide

C12H14N2O3 — CID 107211116

IUPAC5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H14N2O3/c1-7(15)6-14-12(16)11-5-8-4-9(13)2-3-10(8)17-11/h2-5,7,15H,6,13H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyVTRNEPIEIKPXAG-ZETCQYMHSA-N
MW234.25 g/mol
LogP1.13
Rot. Bonds3

About 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide

5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide (PubChem CID 107211116) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
PubChem CID107211116
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H14N2O3/c1-7(15)6-14-12(16)11-5-8-4-9(13)2-3-10(8)17-11/h2-5,7,15H,6,13H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyVTRNEPIEIKPXAG-ZETCQYMHSA-N
XLogP1.13
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 82946153
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide (CID 107211116) is 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide is C[C@H](O)CNC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
The InChIKey is VTRNEPIEIKPXAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(15)6-14-12(16)11-5-8-4-9(13)2-3-10(8)17-11/h2-5,7,15H,6,13H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 107211116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).