N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide

C24H28N2O2 — CID 7482215

IUPACN-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)o1
InChIInChI=1S/C24H28N2O2/c1-3-19(2)25-24(27)23-15-14-22(28-23)18-26(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-15,19H,3,16-18H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyVIBPJIOCIOTGIQ-IBGZPJMESA-N
MW376.50 g/mol
LogP5.01
Rot. Bonds9

About N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide

N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide (PubChem CID 7482215) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
PubChem CID7482215
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)o1
InChIInChI=1S/C24H28N2O2/c1-3-19(2)25-24(27)23-15-14-22(28-23)18-26(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-15,19H,3,16-18H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyVIBPJIOCIOTGIQ-IBGZPJMESA-N
XLogP5.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
CID 6945953
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 3265296
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 3639048
N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
CID 42750705
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide
CID 42750932
5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 5110076

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide (CID 7482215) is N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide is CC[C@H](C)NC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)o1.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide?
The InChIKey is VIBPJIOCIOTGIQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-19(2)25-24(27)23-15-14-22(28-23)18-26(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-15,19H,3,16-18H2,1-2H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide?
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide is sourced from PubChem (CID 7482215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).