N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide

C17H20N2O3 — CID 110640542

IUPACN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCC(CNC(=O)c3ccco3)C2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-6-4-14(5-7-15)19-9-8-13(12-19)11-18-17(20)16-3-2-10-22-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyKRWWGYOHMIEXBB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.54
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 110640542) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
PubChem CID110640542
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCC(CNC(=O)c3ccco3)C2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-6-4-14(5-7-15)19-9-8-13(12-19)11-18-17(20)16-3-2-10-22-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyKRWWGYOHMIEXBB-UHFFFAOYSA-N
XLogP2.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758
N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45222892
N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 126470838
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173
1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 4226014
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide (CID 110640542) is N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide is COc1ccc(N2CCC(CNC(=O)c3ccco3)C2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is KRWWGYOHMIEXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-6-4-14(5-7-15)19-9-8-13(12-19)11-18-17(20)16-3-2-10-22-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 110640542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).