N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide

C20H27FN2O2 — CID 42750705

IUPACN-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN(Cc2cccc(F)c2)C(C)C)o1
InChIInChI=1S/C20H27FN2O2/c1-5-15(4)22-20(24)19-10-9-18(25-19)13-23(14(2)3)12-16-7-6-8-17(21)11-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyPDOVSABZTPIJLE-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.36
Rot. Bonds8

About N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide

N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide (PubChem CID 42750705) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
PubChem CID42750705
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN(Cc2cccc(F)c2)C(C)C)o1
InChIInChI=1S/C20H27FN2O2/c1-5-15(4)22-20(24)19-10-9-18(25-19)13-23(14(2)3)12-16-7-6-8-17(21)11-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyPDOVSABZTPIJLE-UHFFFAOYSA-N
XLogP4.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl-[(3-fluorophenyl)methyl]-[(4-methoxyphenyl)methyl]azanium
CID 6973540
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-[[(3,4-dimethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 42751023
benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
CID 6945953
N-[(2S)-butan-2-yl]-2-[[(3-fluorophenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157138
N-[(2R)-butan-2-yl]-2-[[(3-fluorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98627870
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42753699
5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42750686
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 3346175
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide (CID 42750705) is N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide is CCC(C)NC(=O)c1ccc(CN(Cc2cccc(F)c2)C(C)C)o1.
What is the InChIKey of N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide?
The InChIKey is PDOVSABZTPIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-5-15(4)22-20(24)19-10-9-18(25-19)13-23(14(2)3)12-16-7-6-8-17(21)11-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide?
N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide is sourced from PubChem (CID 42750705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).