N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide

C21H21NO2 — CID 54586462

IUPACN,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2c(C)cccc2C)o1
InChIInChI=1S/C21H21NO2/c1-13-7-5-8-14(2)19(13)17-11-12-18(24-17)21(23)22-20-15(3)9-6-10-16(20)4/h5-12H,1-4H3,(H,22,23)
InChIKeyJNXQDWUMFRHMFE-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.43
Rot. Bonds3

About N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide

N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide (PubChem CID 54586462) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
PubChem CID54586462
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2c(C)cccc2C)o1
InChIInChI=1S/C21H21NO2/c1-13-7-5-8-14(2)19(13)17-11-12-18(24-17)21(23)22-20-15(3)9-6-10-16(20)4/h5-12H,1-4H3,(H,22,23)
InChIKeyJNXQDWUMFRHMFE-UHFFFAOYSA-N
XLogP5.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
5-acetamido-N-(2-ethyl-6-methylphenyl)furan-2-carboxamide
CID 110699909
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047425
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylfuran-2-carboxamide
CID 39819416
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033

Frequently Asked Questions

What is the IUPAC name of N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide (CID 54586462) is N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(-c2c(C)cccc2C)o1.
What is the InChIKey of N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide?
The InChIKey is JNXQDWUMFRHMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-7-5-8-14(2)19(13)17-11-12-18(24-17)21(23)22-20-15(3)9-6-10-16(20)4/h5-12H,1-4H3,(H,22,23).
What are the key properties of N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide?
N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 54586462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).