3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

C21H26N2O3 — CID 110640456

IUPAC3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3cccc(C)c3)C2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-15-5-4-6-18(11-15)23-10-9-16(14-23)13-22-21(24)17-7-8-19(25-2)20(12-17)26-3/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H,22,24)
InChIKeyKAJFWZSPHAPDFU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.27
Rot. Bonds6

About 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 110640456) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID110640456
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3cccc(C)c3)C2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-15-5-4-6-18(11-15)23-10-9-16(14-23)13-22-21(24)17-7-8-19(25-2)20(12-17)26-3/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H,22,24)
InChIKeyKAJFWZSPHAPDFU-UHFFFAOYSA-N
XLogP3.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 51126349
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide
CID 46441486
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 110640456) is 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is COc1ccc(C(=O)NCC2CCN(c3cccc(C)c3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is KAJFWZSPHAPDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-4-6-18(11-15)23-10-9-16(14-23)13-22-21(24)17-7-8-19(25-2)20(12-17)26-3/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 110640456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).