methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate

C21H25NO7 — CID 21046676

IUPACmethyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(Cc2c(OC)cc(OC)cc2OC)o1
InChIInChI=1S/C21H25NO7/c1-25-14-11-18(26-2)15(19(12-14)27-3)10-13-7-8-17(29-13)20(23)22-9-5-6-16(22)21(24)28-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyOSFTZMBTCDXSSD-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.67
Rot. Bonds7

About methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate

methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 21046676) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate
PubChem CID21046676
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC Namemethyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(Cc2c(OC)cc(OC)cc2OC)o1
InChIInChI=1S/C21H25NO7/c1-25-14-11-18(26-2)15(19(12-14)27-3)10-13-7-8-17(29-13)20(23)22-9-5-6-16(22)21(24)28-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyOSFTZMBTCDXSSD-UHFFFAOYSA-N
XLogP2.67
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate
CID 115280144
methyl (2R)-1-(3-iodo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1226630
methyl 1-(5-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxylate
CID 61219649
(2S)-1-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxamide
CID 58696940
methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate
CID 112531529
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate (CID 21046676) is methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(Cc2c(OC)cc(OC)cc2OC)o1.
What is the InChIKey of methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is OSFTZMBTCDXSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO7/c1-25-14-11-18(26-2)15(19(12-14)27-3)10-13-7-8-17(29-13)20(23)22-9-5-6-16(22)21(24)28-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 21046676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).