N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide

C12H14N2O2 — CID 104872934

IUPACN-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
SMILESC[C@H](CN)NC(=O)c1coc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8(6-13)14-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8H,6,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPHOWCKFCUWOYKS-MRVPVSSYSA-N
MW218.26 g/mol
LogP1.51
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide

N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 104872934) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
PubChem CID104872934
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
SMILESC[C@H](CN)NC(=O)c1coc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8(6-13)14-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8H,6,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPHOWCKFCUWOYKS-MRVPVSSYSA-N
XLogP1.51
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
CID 86946401
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide (CID 104872934) is N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide is C[C@H](CN)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is PHOWCKFCUWOYKS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(6-13)14-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8H,6,13H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 104872934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).