2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide

C22H28N2O3 — CID 125174267

IUPAC2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-16-6-4-5-7-20(16)24-11-10-17(15-24)14-23-22(25)12-18-8-9-19(26-2)13-21(18)27-3/h4-9,13,17H,10-12,14-15H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyDGQKBXHRQUWQMB-KRWDZBQOSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 125174267) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID125174267
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-16-6-4-5-7-20(16)24-11-10-17(15-24)14-23-22(25)12-18-8-9-19(26-2)13-21(18)27-3/h4-9,13,17H,10-12,14-15H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyDGQKBXHRQUWQMB-KRWDZBQOSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 91777956
N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124573955
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
1-[(2,4-dimethylphenyl)methyl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine
CID 111938533
1-[(3-methoxyphenyl)methyl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine
CID 111249095
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide (CID 125174267) is 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide is COc1ccc(CC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is DGQKBXHRQUWQMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-6-4-5-7-20(16)24-11-10-17(15-24)14-23-22(25)12-18-8-9-19(26-2)13-21(18)27-3/h4-9,13,17H,10-12,14-15H2,1-3H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 125174267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).