3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide

C22H19NO2 — CID 7945436

IUPAC3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C22H19NO2/c1-14-18-13-12-17-10-6-7-11-19(17)21(18)25-20(14)22(24)23-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyWEFJDHKHVDLFGX-OAHLLOKOSA-N
MW329.40 g/mol
LogP5.39
Rot. Bonds3

About 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 7945436) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID7945436
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C22H19NO2/c1-14-18-13-12-17-10-6-7-11-19(17)21(18)25-20(14)22(24)23-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyWEFJDHKHVDLFGX-OAHLLOKOSA-N
XLogP5.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide
CID 91649991
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148672
3-(1-methoxycyclobutyl)-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid
CID 167881116
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
CID 9091198

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide (CID 7945436) is 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is WEFJDHKHVDLFGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19NO2/c1-14-18-13-12-17-10-6-7-11-19(17)21(18)25-20(14)22(24)23-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7945436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).