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

C19H19NO2 — CID 40636003

IUPAC3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESCC[C@H](NC(=O)c1oc2ccccc2c1C)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-16(14-9-5-4-6-10-14)20-19(21)18-13(2)15-11-7-8-12-17(15)22-18/h4-12,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyNGXXETASDIZPIR-INIZCTEOSA-N
MW293.37 g/mol
LogP4.62
Rot. Bonds4

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

3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 40636003) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
PubChem CID40636003
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESCC[C@H](NC(=O)c1oc2ccccc2c1C)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-16(14-9-5-4-6-10-14)20-19(21)18-13(2)15-11-7-8-12-17(15)22-18/h4-12,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyNGXXETASDIZPIR-INIZCTEOSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
CID 42522128
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 62480713
5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 42907524
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide (CID 40636003) is 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide is CC[C@H](NC(=O)c1oc2ccccc2c1C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is NGXXETASDIZPIR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-16(14-9-5-4-6-10-14)20-19(21)18-13(2)15-11-7-8-12-17(15)22-18/h4-12,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40636003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).