N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide

C20H24N2O3 — CID 95713844

IUPACN-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc([C@H]2CCNC2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-4-3-5-19(25-2)17(18)13-22-20(23)15-8-6-14(7-9-15)16-10-11-21-12-16/h3-9,16,21H,10-13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyGPSIVPVZMHNQET-INIZCTEOSA-N
MW340.42 g/mol
LogP2.71
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide

N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 95713844) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID95713844
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc([C@H]2CCNC2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-4-3-5-19(25-2)17(18)13-22-20(23)15-8-6-14(7-9-15)16-10-11-21-12-16/h3-9,16,21H,10-13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyGPSIVPVZMHNQET-INIZCTEOSA-N
XLogP2.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Adl-5859
CID 11417954
PF-429242
CID 23661637
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N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
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(S)-N-((1-Ethylpyrrolidin-2-yl)methyl)-2-hydroxy-6-methoxybenzamide
CID 10956830
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide
CID 15565706
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-iodo-2,6-dimethoxy-benzamide
CID 13493784
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N-propan-2-ylbenzamide
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CID 737765

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide (CID 95713844) is N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide is COc1cccc(OC)c1CNC(=O)c1ccc([C@H]2CCNC2)cc1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is GPSIVPVZMHNQET-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-4-3-5-19(25-2)17(18)13-22-20(23)15-8-6-14(7-9-15)16-10-11-21-12-16/h3-9,16,21H,10-13H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95713844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).