N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide

C18H22N2O3 — CID 94183070

IUPACN-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C18H22N2O3/c1-4-12(2)20-17(21)15-7-5-14(6-8-15)11-19-18(22)16-9-10-23-13(16)3/h5-10,12H,4,11H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyCOCAYJFRANAVMW-GFCCVEGCSA-N
MW314.39 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide

N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 94183070) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
PubChem CID94183070
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C18H22N2O3/c1-4-12(2)20-17(21)15-7-5-14(6-8-15)11-19-18(22)16-9-10-23-13(16)3/h5-10,12H,4,11H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyCOCAYJFRANAVMW-GFCCVEGCSA-N
XLogP3.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
CID 94197370
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
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 76932639
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
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
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide (CID 94183070) is N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide is CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2C)cc1.
What is the InChIKey of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is COCAYJFRANAVMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-12(2)20-17(21)15-7-5-14(6-8-15)11-19-18(22)16-9-10-23-13(16)3/h5-10,12H,4,11H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 94183070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).