4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide

C25H29NO3 — CID 23397444

IUPAC4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)NC12CCCC1OCC2=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-17(2)14-21(20-11-6-10-19(15-20)18-8-4-3-5-9-18)24(28)26-25-13-7-12-23(25)29-16-22(25)27/h3-6,8-11,15,17,21,23H,7,12-14,16H2,1-2H3,(H,26,28)
InChIKeyUTZXMIDWGGBTRK-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.49
Rot. Bonds6

About 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide

4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide (PubChem CID 23397444) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide
PubChem CID23397444
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)NC12CCCC1OCC2=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-17(2)14-21(20-11-6-10-19(15-20)18-8-4-3-5-9-18)24(28)26-25-13-7-12-23(25)29-16-22(25)27/h3-6,8-11,15,17,21,23H,7,12-14,16H2,1-2H3,(H,26,28)
InChIKeyUTZXMIDWGGBTRK-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide with MolForge

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Related Compounds

N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide
CID 10133440
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]-1-oxido-5-thiophen-2-ylpyridin-1-ium-3-carboxamide
CID 23397482
N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]naphthalene-1-carboxamide
CID 90713036
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1-benzothiophene-3-carboxamide
CID 91027622
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 10202460
N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide
CID 90782289
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide
CID 90833925
2-[3-(4-aminophenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide
CID 18628689
2-[3-(4-aminophenyl)phenyl]-4-methylpentanoic acid
CID 18628812
(2S)-4-methyl-N-[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]-2-(3-phenylphenyl)pentanamide
CID 139968472
N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide
CID 18628717

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide?
The IUPAC name of 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide (CID 23397444) is 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide?
The canonical SMILES for 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide is CC(C)CC(C(=O)NC12CCCC1OCC2=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide?
The InChIKey is UTZXMIDWGGBTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-17(2)14-21(20-11-6-10-19(15-20)18-8-4-3-5-9-18)24(28)26-25-13-7-12-23(25)29-16-22(25)27/h3-6,8-11,15,17,21,23H,7,12-14,16H2,1-2H3,(H,26,28).
What are the key properties of 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide?
4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide has a molecular weight of 391.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide is sourced from PubChem (CID 23397444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).