N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide

C18H22N2O3 — CID 94197302

IUPACN-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C18H22N2O3/c1-4-12(2)20-17(21)15-8-6-14(7-9-15)11-19-18(22)16-10-5-13(3)23-16/h5-10,12H,4,11H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyNEPLUOGASGVCMI-LBPRGKRZSA-N
MW314.39 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide

N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide (PubChem CID 94197302) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
PubChem CID94197302
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C18H22N2O3/c1-4-12(2)20-17(21)15-8-6-14(7-9-15)11-19-18(22)16-10-5-13(3)23-16/h5-10,12H,4,11H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyNEPLUOGASGVCMI-LBPRGKRZSA-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

Analyze N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-5-nitrofuran-2-carboxamide
CID 51082850
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
CID 94197370
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94197268
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-butan-2-yl-4-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111183764
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
N-butan-2-yl-4-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]benzamide
CID 111225317
N-butan-2-yl-4-(sulfanylmethyl)benzamide
CID 156809671
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide (CID 94197302) is N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide is CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)o2)cc1.
What is the InChIKey of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide?
The InChIKey is NEPLUOGASGVCMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-12(2)20-17(21)15-8-6-14(7-9-15)11-19-18(22)16-10-5-13(3)23-16/h5-10,12H,4,11H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide?
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-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-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 94197302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).