(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C21H24N2O3 — CID 42791174

IUPAC(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc2c(cc(C(=O)N3CC(C)OC(C)C3)n2Cc2ccccc2)o1
InChIInChI=1S/C21H24N2O3/c1-14-9-18-20(26-14)10-19(23(18)13-17-7-5-4-6-8-17)21(24)22-11-15(2)25-16(3)12-22/h4-10,15-16H,11-13H2,1-3H3
InChIKeyCSANMTIIDUZLAN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.84
Rot. Bonds3

About (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 42791174) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID42791174
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc2c(cc(C(=O)N3CC(C)OC(C)C3)n2Cc2ccccc2)o1
InChIInChI=1S/C21H24N2O3/c1-14-9-18-20(26-14)10-19(23(18)13-17-7-5-4-6-8-17)21(24)22-11-15(2)25-16(3)12-22/h4-10,15-16H,11-13H2,1-3H3
InChIKeyCSANMTIIDUZLAN-UHFFFAOYSA-N
XLogP3.84
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
ethyl 1-[2-methyl-4-[(3-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 7218843
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791623
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42791427
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959090

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 42791174) is (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is Cc1cc2c(cc(C(=O)N3CC(C)OC(C)C3)n2Cc2ccccc2)o1.
What is the InChIKey of (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is CSANMTIIDUZLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-18-20(26-14)10-19(23(18)13-17-7-5-4-6-8-17)21(24)22-11-15(2)25-16(3)12-22/h4-10,15-16H,11-13H2,1-3H3.
What are the key properties of (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 352.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 42791174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).