N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide

C24H21NO2 — CID 100795337

IUPACN,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)oc12
InChIInChI=1S/C24H21NO2/c1-18-9-8-14-21-15-22(27-23(18)21)24(26)25(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKeyOYRRWVSLKWGDHC-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.58
Rot. Bonds5

About N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide

N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 100795337) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
PubChem CID100795337
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC NameN,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)oc12
InChIInChI=1S/C24H21NO2/c1-18-9-8-14-21-15-22(27-23(18)21)24(26)25(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKeyOYRRWVSLKWGDHC-UHFFFAOYSA-N
XLogP5.58
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119200468
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39717319
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
CID 42703297
(2S,3S)-3-methyl-2-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119194155

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide (CID 100795337) is N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide is Cc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)oc12.
What is the InChIKey of N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OYRRWVSLKWGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-18-9-8-14-21-15-22(27-23(18)21)24(26)25(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3.
What are the key properties of N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide?
N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 100795337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).