N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide

C21H24N2O3 — CID 42792525

IUPACN-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3occc3n2CC2CCCCO2)cc1C
InChIInChI=1S/C21H24N2O3/c1-14-6-7-16(11-15(14)2)22-21(24)19-12-20-18(8-10-26-20)23(19)13-17-5-3-4-9-25-17/h6-8,10-12,17H,3-5,9,13H2,1-2H3,(H,22,24)
InChIKeyXRCGTCDPLSMRSY-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.67
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide

N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42792525) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42792525
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3occc3n2CC2CCCCO2)cc1C
InChIInChI=1S/C21H24N2O3/c1-14-6-7-16(11-15(14)2)22-21(24)19-12-20-18(8-10-26-20)23(19)13-17-5-3-4-9-25-17/h6-8,10-12,17H,3-5,9,13H2,1-2H3,(H,22,24)
InChIKeyXRCGTCDPLSMRSY-UHFFFAOYSA-N
XLogP4.67
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790763
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
CID 30634978
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
(E)-2-cyano-3-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 8743569
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 2976308
N-(3,4-dimethylphenyl)-2-[7,12-dioxo-8-[[(2S)-oxolan-2-yl]methyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide
CID 95113586
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-(3,4-dimethylphenyl)-3-[[3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]benzamide
CID 4240466
N-cyclohexyl-4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 42790618
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883211
N-(3,4-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7031260

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42792525) is N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1ccc(NC(=O)c2cc3occc3n2CC2CCCCO2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XRCGTCDPLSMRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-6-7-16(11-15(14)2)22-21(24)19-12-20-18(8-10-26-20)23(19)13-17-5-3-4-9-25-17/h6-8,10-12,17H,3-5,9,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42792525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).