N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide

C14H18N2O2 — CID 99646947

IUPACN-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
SMILESCNC[C@H](C)CNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(7-15-2)8-16-14(17)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyXEJIQUCRYANZDS-JTQLQIEISA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds5

About N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide

N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide (PubChem CID 99646947) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
PubChem CID99646947
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
SMILESCNC[C@H](C)CNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(7-15-2)8-16-14(17)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyXEJIQUCRYANZDS-JTQLQIEISA-N
XLogP2.02
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 9117714
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide (CID 99646947) is N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide is CNC[C@H](C)CNC(=O)c1coc2ccccc12.
What is the InChIKey of N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide?
The InChIKey is XEJIQUCRYANZDS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(7-15-2)8-16-14(17)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide?
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 99646947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).