N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

C19H20N2O3 — CID 29434158

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2occc2COc2ccccc2)n1C
InChIInChI=1S/C19H20N2O3/c1-14-8-9-16(21(14)2)12-20-19(22)18-15(10-11-23-18)13-24-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyDGXABBLNNOATOD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.44
Rot. Bonds6

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 29434158) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID29434158
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2occc2COc2ccccc2)n1C
InChIInChI=1S/C19H20N2O3/c1-14-8-9-16(21(14)2)12-20-19(22)18-15(10-11-23-18)13-24-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyDGXABBLNNOATOD-UHFFFAOYSA-N
XLogP3.44
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55483885
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 29434158) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is Cc1ccc(CNC(=O)c2occc2COc2ccccc2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is DGXABBLNNOATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-8-9-16(21(14)2)12-20-19(22)18-15(10-11-23-18)13-24-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 29434158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).