N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide

C21H26N2O2 — CID 95296545

IUPACN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)Cc3ccccc3C)C2)c1
InChIInChI=1S/C21H26N2O2/c1-16-6-3-4-7-18(16)12-21(24)22-14-17-10-11-23(15-17)19-8-5-9-20(13-19)25-2/h3-9,13,17H,10-12,14-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyPXNZAKGFGDAUBW-QGZVFWFLSA-N
MW338.45 g/mol
LogP3.19
Rot. Bonds6

About N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide

N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide (PubChem CID 95296545) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
PubChem CID95296545
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)Cc3ccccc3C)C2)c1
InChIInChI=1S/C21H26N2O2/c1-16-6-3-4-7-18(16)12-21(24)22-14-17-10-11-23(15-17)19-8-5-9-20(13-19)25-2/h3-9,13,17H,10-12,14-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyPXNZAKGFGDAUBW-QGZVFWFLSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 95310394
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 119871027
N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 97000762
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 119871026
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide (CID 95296545) is N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide is COc1cccc(N2CC[C@H](CNC(=O)Cc3ccccc3C)C2)c1.
What is the InChIKey of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is PXNZAKGFGDAUBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-6-3-4-7-18(16)12-21(24)22-14-17-10-11-23(15-17)19-8-5-9-20(13-19)25-2/h3-9,13,17H,10-12,14-15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 95296545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).