5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

C14H16N2O2 — CID 82344274

IUPAC5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(N)o2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-6-9(2)13(10(3)7-8)16-14(17)11-4-5-12(15)18-11/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyQKXBQTXFCWWBSF-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.04
Rot. Bonds2

About 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (PubChem CID 82344274) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
PubChem CID82344274
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(N)o2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-6-9(2)13(10(3)7-8)16-14(17)11-4-5-12(15)18-11/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyQKXBQTXFCWWBSF-UHFFFAOYSA-N
XLogP3.04
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide
CID 91687418
5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 82344285
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
5-amino-N-(2,5-difluorophenyl)furan-2-carboxamide
CID 82344363
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
CID 54586462

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (CID 82344274) is 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(N)o2)c(C)c1.
What is the InChIKey of 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The InChIKey is QKXBQTXFCWWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-6-9(2)13(10(3)7-8)16-14(17)11-4-5-12(15)18-11/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 82344274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).