3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide

C18H17NO2 — CID 4570219

IUPAC3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H17NO2/c1-12-15-10-6-7-11-16(15)21-17(12)18(20)19-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,19,20)
InChIKeyPKCRWVHTHCWGBR-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.23
Rot. Bonds3

About 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 4570219) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID4570219
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H17NO2/c1-12-15-10-6-7-11-16(15)21-17(12)18(20)19-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,19,20)
InChIKeyPKCRWVHTHCWGBR-UHFFFAOYSA-N
XLogP4.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51247168
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417462
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 32592662
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide (CID 4570219) is 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PKCRWVHTHCWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-15-10-6-7-11-16(15)21-17(12)18(20)19-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,19,20).
What are the key properties of 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4570219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).