N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide

C20H26N2O4 — CID 69049697

IUPACN-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide
SMILESCC(CCNC(=O)Cc1ccccc1)CC(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C20H26N2O4/c1-14(7-9-21-18(24)12-15-5-3-2-4-6-15)11-19(25)22-10-8-17-20(22)16(23)13-26-17/h2-6,14,17,20H,7-13H2,1H3,(H,21,24)
InChIKeyCXKPWZKQLWLQOD-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.33
Rot. Bonds7

About N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide

N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide (PubChem CID 69049697) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide
PubChem CID69049697
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide
SMILESCC(CCNC(=O)Cc1ccccc1)CC(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C20H26N2O4/c1-14(7-9-21-18(24)12-15-5-3-2-4-6-15)11-19(25)22-10-8-17-20(22)16(23)13-26-17/h2-6,14,17,20H,7-13H2,1H3,(H,21,24)
InChIKeyCXKPWZKQLWLQOD-UHFFFAOYSA-N
XLogP1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]benzamide
CID 69048033
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-2-phenylacetamide
CID 69327933
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-phenylacetamide;sulfane
CID 158366265
3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide
CID 69051635
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 59791716
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-6-phenylpyridine-3-carboxamide
CID 69050177
4-(dimethylamino)-N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]benzamide
CID 69048928
(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 68958377
(3aS,6aR)-N-(5-methyl-1-thiophen-2-ylhexan-3-yl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxamide;sulfane
CID 159787810
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 163431387
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide?
The IUPAC name of N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide (CID 69049697) is N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide?
The canonical SMILES for N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide is CC(CCNC(=O)Cc1ccccc1)CC(=O)N1CCC2OCC(=O)C21.
What is the InChIKey of N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide?
The InChIKey is CXKPWZKQLWLQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(7-9-21-18(24)12-15-5-3-2-4-6-15)11-19(25)22-10-8-17-20(22)16(23)13-26-17/h2-6,14,17,20H,7-13H2,1H3,(H,21,24).
What are the key properties of N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide?
N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide has a molecular weight of 358.44 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide is sourced from PubChem (CID 69049697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).