benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium

C18H25N2O2+ — CID 6945953

IUPACbenzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
SMILESCC[C@H](C)NC(=O)c1ccc(C[NH+](C)Cc2ccccc2)o1
InChIInChI=1S/C18H24N2O2/c1-4-14(2)19-18(21)17-11-10-16(22-17)13-20(3)12-15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1
InChIKeyODLJTSQURWLQGO-AWEZNQCLSA-O
MW301.41 g/mol
LogP2.02
Rot. Bonds7

About benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium

benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium (PubChem CID 6945953) has the molecular formula C18H25N2O2+ and a molecular weight of 301.41 g/mol. Its IUPAC name is benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
PubChem CID6945953
Molecular FormulaC18H25N2O2+
Molecular Weight301.41 g/mol
Exact Mass301.19
IUPAC Namebenzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
SMILESCC[C@H](C)NC(=O)c1ccc(C[NH+](C)Cc2ccccc2)o1
InChIInChI=1S/C18H24N2O2/c1-4-14(2)19-18(21)17-11-10-16(22-17)13-20(3)12-15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1
InChIKeyODLJTSQURWLQGO-AWEZNQCLSA-O
XLogP2.02
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl-[(3-fluorophenyl)methyl]-[(4-methoxyphenyl)methyl]azanium
CID 6973540
N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
CID 42750705
benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium
CID 7417814
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798215
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348

Frequently Asked Questions

What is the IUPAC name of benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium?
The IUPAC name of benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium (CID 6945953) is benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium.
What is the SMILES notation for benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium?
The canonical SMILES for benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium is CC[C@H](C)NC(=O)c1ccc(C[NH+](C)Cc2ccccc2)o1.
What is the InChIKey of benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium?
The InChIKey is ODLJTSQURWLQGO-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H24N2O2/c1-4-14(2)19-18(21)17-11-10-16(22-17)13-20(3)12-15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1.
What are the key properties of benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium?
benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium has a molecular weight of 301.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium is sourced from PubChem (CID 6945953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).