N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C21H26N2O5 — CID 21046751

IUPACN-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)N3CCC(N(C)C(C)=O)C3)o2)c1
InChIInChI=1S/C21H26N2O5/c1-14(24)22(2)16-9-10-23(13-16)21(25)20-8-6-18(28-20)12-15-11-17(26-3)5-7-19(15)27-4/h5-8,11,16H,9-10,12-13H2,1-4H3
InChIKeyIKSOAHLKNCJKGT-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.58
Rot. Bonds6

About N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 21046751) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID21046751
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)N3CCC(N(C)C(C)=O)C3)o2)c1
InChIInChI=1S/C21H26N2O5/c1-14(24)22(2)16-9-10-23(13-16)21(25)20-8-6-18(28-20)12-15-11-17(26-3)5-7-19(15)27-4/h5-8,11,16H,9-10,12-13H2,1-4H3
InChIKeyIKSOAHLKNCJKGT-UHFFFAOYSA-N
XLogP2.58
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone
CID 21045914
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25309528
[5-[(dimethylamino)methyl]furan-2-yl]-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 56865299
N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047813
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
5-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046065
[5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 5003913
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 56745555
(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 154757977

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 21046751) is N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is COc1ccc(OC)c(Cc2ccc(C(=O)N3CCC(N(C)C(C)=O)C3)o2)c1.
What is the InChIKey of N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is IKSOAHLKNCJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14(24)22(2)16-9-10-23(13-16)21(25)20-8-6-18(28-20)12-15-11-17(26-3)5-7-19(15)27-4/h5-8,11,16H,9-10,12-13H2,1-4H3.
What are the key properties of N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 386.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 21046751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).