N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide

C17H20N2O3 — CID 94197370

IUPACN-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-12(2)19-16(20)14-8-6-13(7-9-14)11-18-17(21)15-5-4-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyJSKUNEIYLDZDEG-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.74
Rot. Bonds6

About N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide

N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 94197370) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
PubChem CID94197370
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-12(2)19-16(20)14-8-6-13(7-9-14)11-18-17(21)15-5-4-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyJSKUNEIYLDZDEG-LBPRGKRZSA-N
XLogP2.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94197268
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-5-nitrofuran-2-carboxamide
CID 51082850
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155
N-butan-2-yl-4-[[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111007544
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide (CID 94197370) is N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide is CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is JSKUNEIYLDZDEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-12(2)19-16(20)14-8-6-13(7-9-14)11-18-17(21)15-5-4-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1.
What are the key properties of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide?
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 94197370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).