2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

C19H22N2O4 — CID 43013881

IUPAC2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CCc1ccco1)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C19H22N2O4/c22-18(10-9-14-5-3-11-24-14)21-17-8-2-1-7-16(17)19(23)20-13-15-6-4-12-25-15/h1-3,5,7-8,11,15H,4,6,9-10,12-13H2,(H,20,23)(H,21,22)
InChIKeyFRVMNIBHOCBDNH-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.76
Rot. Bonds7

About 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43013881) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43013881
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CCc1ccco1)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C19H22N2O4/c22-18(10-9-14-5-3-11-24-14)21-17-8-2-1-7-16(17)19(23)20-13-15-6-4-12-25-15/h1-3,5,7-8,11,15H,4,6,9-10,12-13H2,(H,20,23)(H,21,22)
InChIKeyFRVMNIBHOCBDNH-UHFFFAOYSA-N
XLogP2.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 51278293
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 30804092
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43059773
2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 43013881) is 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CCc1ccco1)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FRVMNIBHOCBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(10-9-14-5-3-11-24-14)21-17-8-2-1-7-16(17)19(23)20-13-15-6-4-12-25-15/h1-3,5,7-8,11,15H,4,6,9-10,12-13H2,(H,20,23)(H,21,22).
What are the key properties of 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 342.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43013881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).