N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide

C16H18N2O3 — CID 110866381

IUPACN-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)NC(=O)c1ccco1
InChIInChI=1S/C16H18N2O3/c1-16(2,3)11-7-4-5-8-12(11)17-15(20)18-14(19)13-9-6-10-21-13/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyCKKWHSJICFMDSR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.54
Rot. Bonds2

About N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide

N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide (PubChem CID 110866381) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide
PubChem CID110866381
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)NC(=O)c1ccco1
InChIInChI=1S/C16H18N2O3/c1-16(2,3)11-7-4-5-8-12(11)17-15(20)18-14(19)13-9-6-10-21-13/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyCKKWHSJICFMDSR-UHFFFAOYSA-N
XLogP3.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
CID 110866599
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-(2-tert-butylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108950812
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
CID 56689935
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[2-(2-fluorophenyl)propan-2-yl]furan-2-carboxamide
CID 110443410

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide?
The IUPAC name of N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide (CID 110866381) is N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide is CC(C)(C)c1ccccc1NC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide?
The InChIKey is CKKWHSJICFMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,3)11-7-4-5-8-12(11)17-15(20)18-14(19)13-9-6-10-21-13/h4-10H,1-3H3,(H2,17,18,19,20).
What are the key properties of N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide?
N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide is sourced from PubChem (CID 110866381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).