1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide

C17H22N2O3 — CID 94175396

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1Cc1ccco1
InChIInChI=1S/C17H22N2O3/c1-12-9-16(17(20)18-10-14-5-3-7-21-14)13(2)19(12)11-15-6-4-8-22-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyNKXDRJGHWDDKOO-CQSZACIVSA-N
MW302.37 g/mol
LogP2.66
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide (PubChem CID 94175396) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
PubChem CID94175396
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1Cc1ccco1
InChIInChI=1S/C17H22N2O3/c1-12-9-16(17(20)18-10-14-5-3-7-21-14)13(2)19(12)11-15-6-4-8-22-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyNKXDRJGHWDDKOO-CQSZACIVSA-N
XLogP2.66
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide 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

2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 7394298
N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 32759998
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 94121472
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide (CID 94175396) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide?
The InChIKey is NKXDRJGHWDDKOO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-9-16(17(20)18-10-14-5-3-7-21-14)13(2)19(12)11-15-6-4-8-22-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 94175396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).