(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone

C18H28N2O2 — CID 136541221

IUPAC(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
SMILESCC(C)c1ccoc1C(=O)N1CCCC(N2CCCC2)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3
InChIKeyFLOFCVYBDIUUPR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.49
Rot. Bonds3

About (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone

(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone (PubChem CID 136541221) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
PubChem CID136541221
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
SMILESCC(C)c1ccoc1C(=O)N1CCCC(N2CCCC2)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3
InChIKeyFLOFCVYBDIUUPR-UHFFFAOYSA-N
XLogP3.49
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
CID 97215122
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-propan-2-ylfuran-2-yl)methanone
CID 126800076
5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 138009560
3-[(3aR,6aS)-3a,6a-dimethyl-5-(3-propan-2-ylfuran-2-carbonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-methylpyrrolidin-2-one
CID 167800137
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 129470416
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
The IUPAC name of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone (CID 136541221) is (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone.
What is the SMILES notation for (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
The canonical SMILES for (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone is CC(C)c1ccoc1C(=O)N1CCCC(N2CCCC2)CC1.
What is the InChIKey of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
The InChIKey is FLOFCVYBDIUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3.
What are the key properties of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone has a molecular weight of 304.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone is sourced from PubChem (CID 136541221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).