2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide

C21H26N2O4 — CID 47091619

IUPAC2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCN(c3ccccc3OC)C2)c1
InChIInChI=1S/C21H26N2O4/c1-25-16-8-9-19(26-2)17(12-16)21(24)22-13-15-10-11-23(14-15)18-6-4-5-7-20(18)27-3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyOXOMDZKXFWFVLW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.97
Rot. Bonds7

About 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide

2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 47091619) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID47091619
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCN(c3ccccc3OC)C2)c1
InChIInChI=1S/C21H26N2O4/c1-25-16-8-9-19(26-2)17(12-16)21(24)22-13-15-10-11-23(14-15)18-6-4-5-7-20(18)27-3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyOXOMDZKXFWFVLW-UHFFFAOYSA-N
XLogP2.97
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 124607965
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
1-[(3-methoxyphenyl)methyl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine
CID 111249095

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 47091619) is 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide is COc1ccc(OC)c(C(=O)NCC2CCN(c3ccccc3OC)C2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is OXOMDZKXFWFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-16-8-9-19(26-2)17(12-16)21(24)22-13-15-10-11-23(14-15)18-6-4-5-7-20(18)27-3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide?
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 47091619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).